Responsive image

Common name


isopyrazam

Formula


C20H23F2N3O

CAS


881685-58-1

IUPAC name


3-(difluoromethyl)-1-methyl-N-[1,2,3,4-tetrahydro-9-(1-methylethyl)-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide

SMILES


CC(C)C1C2CCC1c1c2cccc1N=C(c1cn(C)nc1C(F)F)O

INCHI


InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)

Physicochemical Properties

Molecular weight:

359.181

Molar refractivity:

98.276

Num. bonds:

29

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

26

Num. nitrogen atom:

3

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

3

Num. H-bond donors:

1

Complexity of system:

191.06

Lipophilicity

ALogP:

1.282

MLogP:

3

XLogP:

4.219

Water Solubility

CLogS:

-4.3

Geometric

PPSA-1:

520.194

PNSA-1:

210.997

RPCS:

0.147

RNCS:

1.811

THSA:

635.456

TPSA:

95.734

RHSA:

0.869

RPSA:

0.131

Electrostatic

RPCG:

0.156

RNCG:

0.152

Flexibility

Num. Rot. bonds: 5

5

Frac. of Rot. bonds:

0.172

AgroPAD

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

13

Num. arom. rings:

2

Num. rings:

4

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

50.68
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.391

QEF:

0.606

Gau:

5.89442