1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile

C17H12ClN3O — CID 94962094

IUPAC1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H12ClN3O/c1-22-16-8-2-12(3-9-16)17-10-14(11-19)20-21(17)15-6-4-13(18)5-7-15/h2-10H,1H3
InChIKeyOOJIXOVAHWHSPI-UHFFFAOYSA-N
MW309.76 g/mol
LogP4.07
Rot. Bonds3

About 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile

1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile (PubChem CID 94962094) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
PubChem CID94962094
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H12ClN3O/c1-22-16-8-2-12(3-9-16)17-10-14(11-19)20-21(17)15-6-4-13(18)5-7-15/h2-10H,1H3
InChIKeyOOJIXOVAHWHSPI-UHFFFAOYSA-N
XLogP4.07
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-bis(4-chlorophenyl)pyrazole-3-carbonitrile
CID 94962068
5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 58806840
N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide
CID 19886103
1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile
CID 94962234
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 91273356
2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine
CID 21090779
4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]benzonitrile
CID 21090930
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile
CID 82220313
ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
CID 11222871

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile?
The IUPAC name of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile (CID 94962094) is 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile?
The canonical SMILES for 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile is COc1ccc(-c2cc(C#N)nn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile?
The InChIKey is OOJIXOVAHWHSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c1-22-16-8-2-12(3-9-16)17-10-14(11-19)20-21(17)15-6-4-13(18)5-7-15/h2-10H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile?
1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile has a molecular weight of 309.76 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 94962094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).