N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide

C21H19N5O — CID 19281316

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCn1nccc1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H19N5O/c1-25-18(12-13-23-25)14-22-21(27)19-15-26(17-10-6-3-7-11-17)24-20(19)16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,22,27)
InChIKeyNDSCZEHAGBJJBJ-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.20
Rot. Bonds5

About N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide

N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19281316) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19281316
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCn1nccc1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H19N5O/c1-25-18(12-13-23-25)14-22-21(27)19-15-26(17-10-6-3-7-11-17)24-20(19)16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,22,27)
InChIKeyNDSCZEHAGBJJBJ-UHFFFAOYSA-N
XLogP3.20
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-adamantyl)-N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 19473709
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 87043447
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281272
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 75450088
N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 9204822
N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide
CID 24650106
N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 60606127
N-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55576920

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide (CID 19281316) is N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide is Cn1nccc1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is NDSCZEHAGBJJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-25-18(12-13-23-25)14-22-21(27)19-15-26(17-10-6-3-7-11-17)24-20(19)16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,22,27).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19281316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).