1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide

C19H15ClN4O — CID 39724720

IUPAC1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide
SMILESN#CCc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1
InChIInChI=1S/C19H15ClN4O/c20-18-4-2-1-3-15(18)12-24-13-16(11-22-24)19(25)23-17-7-5-14(6-8-17)9-10-21/h1-8,11,13H,9,12H2,(H,23,25)
InChIKeyPCMMGLFTELNVJD-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.90
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 39724720) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide
PubChem CID39724720
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide
SMILESN#CCc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1
InChIInChI=1S/C19H15ClN4O/c20-18-4-2-1-3-15(18)12-24-13-16(11-22-24)19(25)23-17-7-5-14(6-8-17)9-10-21/h1-8,11,13H,9,12H2,(H,23,25)
InChIKeyPCMMGLFTELNVJD-UHFFFAOYSA-N
XLogP3.90
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 24641718
1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide
CID 110882308
1-[(2-chlorophenyl)methyl]-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 39723136
1-[(2-chlorophenyl)methyl]-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 17476630
1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide
CID 55963403
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide
CID 38588800
1-[(2-chlorophenyl)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34450094
N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide
CID 82178844
1-[(2-chlorophenyl)methyl]-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyrazole-4-carboxamide
CID 60557805
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 55906262
1-[3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483009
3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 674696

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide (CID 39724720) is 1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide is N#CCc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is PCMMGLFTELNVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c20-18-4-2-1-3-15(18)12-24-13-16(11-22-24)19(25)23-17-7-5-14(6-8-17)9-10-21/h1-8,11,13H,9,12H2,(H,23,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39724720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).