5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile

C19H12F2N4O — CID 155672079

IUPAC5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile
SMILESCc1nn(-c2ccccc2)c(COc2c(F)cc(C#N)cc2F)c1C#N
InChIInChI=1S/C19H12F2N4O/c1-12-15(10-23)18(25(24-12)14-5-3-2-4-6-14)11-26-19-16(20)7-13(9-22)8-17(19)21/h2-8H,11H2,1H3
InChIKeyOUGJANPURDBZJH-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.78
Rot. Bonds4

About 5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile

5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile (PubChem CID 155672079) has the molecular formula C19H12F2N4O and a molecular weight of 350.33 g/mol. Its IUPAC name is 5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile
PubChem CID155672079
Molecular FormulaC19H12F2N4O
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile
SMILESCc1nn(-c2ccccc2)c(COc2c(F)cc(C#N)cc2F)c1C#N
InChIInChI=1S/C19H12F2N4O/c1-12-15(10-23)18(25(24-12)14-5-3-2-4-6-14)11-26-19-16(20)7-13(9-22)8-17(19)21/h2-8H,11H2,1H3
InChIKeyOUGJANPURDBZJH-UHFFFAOYSA-N
XLogP3.78
TPSA74.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[3-(2-hydroxyethyl)phenoxy]methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile
CID 139489516
(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 3,4,5-trimethoxybenzoate
CID 55397114
3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
5-[(4-ethyl-2-oxochromen-7-yl)oxymethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile
CID 30909183
tert-butyl 2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]acetate
CID 159646520
5-[[4-(cyanomethyl)phenoxy]methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile;5-[(2,3-dimethylphenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile
CID 139489509
(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl-triphenylphosphanium
CID 71813499
N-[2-[4-[(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methoxy]phenyl]ethyl]benzenesulfonamide
CID 139489528
(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate
CID 27916447
1-(2-fluorophenyl)-5-[[4-(2-hydroxyethyl)phenoxy]methyl]-3-methylpyrazole-4-carbonitrile
CID 155672057
(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 3-amino-4-chlorobenzoate
CID 42490131
3-methyl-5-(2-methylpropylsulfanylmethyl)-1-phenylpyrazole-4-carbonitrile
CID 55398727

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile (CID 155672079) is 5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile is Cc1nn(-c2ccccc2)c(COc2c(F)cc(C#N)cc2F)c1C#N.
What is the InChIKey of 5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile?
The InChIKey is OUGJANPURDBZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O/c1-12-15(10-23)18(25(24-12)14-5-3-2-4-6-14)11-26-19-16(20)7-13(9-22)8-17(19)21/h2-8H,11H2,1H3.
What are the key properties of 5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile?
5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile has a molecular weight of 350.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 155672079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).