5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide

C22H21N5O — CID 19473385

IUPAC5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cnn(C)c2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H21N5O/c1-16-20(22(28)23-13-17-14-24-26(2)15-17)21(18-9-5-3-6-10-18)25-27(16)19-11-7-4-8-12-19/h3-12,14-15H,13H2,1-2H3,(H,23,28)
InChIKeyJDBXUAIFKPJDKM-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.51
Rot. Bonds5

About 5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide

5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19473385) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19473385
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cnn(C)c2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H21N5O/c1-16-20(22(28)23-13-17-14-24-26(2)15-17)21(18-9-5-3-6-10-18)25-27(16)19-11-7-4-8-12-19/h3-12,14-15H,13H2,1-2H3,(H,23,28)
InChIKeyJDBXUAIFKPJDKM-UHFFFAOYSA-N
XLogP3.51
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 4016241
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473366
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 143069575
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588547
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
CID 3079315
N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473450
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473397

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide (CID 19473385) is 5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2cnn(C)c2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is JDBXUAIFKPJDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-16-20(22(28)23-13-17-14-24-26(2)15-17)21(18-9-5-3-6-10-18)25-27(16)19-11-7-4-8-12-19/h3-12,14-15H,13H2,1-2H3,(H,23,28).
What are the key properties of 5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19473385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).