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

C21H28N6O2 — CID 165415413

IUPAC4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(C2CCC2)n(C2CCCC2)n1
InChIInChI=1S/C21H28N6O2/c1-25-19(16(13-22-25)21(29)26-10-5-11-26)20(28)23-18-12-17(14-6-4-7-14)27(24-18)15-8-2-3-9-15/h12-15H,2-11H2,1H3,(H,23,24,28)
InChIKeyZSBMIWQCYGQLIG-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.10
Rot. Bonds5

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

4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 165415413) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
PubChem CID165415413
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(C2CCC2)n(C2CCCC2)n1
InChIInChI=1S/C21H28N6O2/c1-25-19(16(13-22-25)21(29)26-10-5-11-26)20(28)23-18-12-17(14-6-4-7-14)27(24-18)15-8-2-3-9-15/h12-15H,2-11H2,1H3,(H,23,24,28)
InChIKeyZSBMIWQCYGQLIG-UHFFFAOYSA-N
XLogP3.10
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide
CID 165415447
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415389
4-(azetidine-1-carbonyl)-N-[5-(3-chlorophenyl)-1-ethylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415199
4-(azetidine-1-carbonyl)-N-(2-bromo-6-methyl-4-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 165415448
4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415380
4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57377746
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57378287
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71506857
N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide
CID 164792338
4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
CID 67384213
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57377957
8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 123237754

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide (CID 165415413) is 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(C2CCC2)n(C2CCCC2)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is ZSBMIWQCYGQLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-25-19(16(13-22-25)21(29)26-10-5-11-26)20(28)23-18-12-17(14-6-4-7-14)27(24-18)15-8-2-3-9-15/h12-15H,2-11H2,1H3,(H,23,24,28).
What are the key properties of 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 3.10, 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-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).