4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide

C19H20N6O2 — CID 165415305

IUPAC4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C19H20N6O2/c1-23-17(15(12-20-23)19(27)24-9-5-10-24)18(26)21-16-8-11-25(22-16)13-14-6-3-2-4-7-14/h2-4,6-8,11-12H,5,9-10,13H2,1H3,(H,21,22,26)
InChIKeyXJQPWFZZNLDOJP-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.76
Rot. Bonds5

About 4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 165415305) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
PubChem CID165415305
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C19H20N6O2/c1-23-17(15(12-20-23)19(27)24-9-5-10-24)18(26)21-16-8-11-25(22-16)13-14-6-3-2-4-7-14/h2-4,6-8,11-12H,5,9-10,13H2,1H3,(H,21,22,26)
InChIKeyXJQPWFZZNLDOJP-UHFFFAOYSA-N
XLogP1.76
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
4-(azetidine-1-carbonyl)-N-[2-[5-(3-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288682
4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide
CID 71288719
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776704
4-(azetidine-1-carbonyl)-N-[2-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288492
4-(azetidine-1-carbonyl)-2-methyl-N-[2-[5-phenyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]pyrazole-3-carboxamide
CID 71288502
4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288531
4-N-cyclopentyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288554
4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288555
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 71288581

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide (CID 165415305) is 4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is XJQPWFZZNLDOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-23-17(15(12-20-23)19(27)24-9-5-10-24)18(26)21-16-8-11-25(22-16)13-14-6-3-2-4-7-14/h2-4,6-8,11-12H,5,9-10,13H2,1H3,(H,21,22,26).
What are the key properties of 4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).