4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

C15H17N7O2 — CID 165415429

IUPAC4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(CCC#N)n1
InChIInChI=1S/C15H17N7O2/c1-20-13(11(10-17-20)15(24)21-6-3-7-21)14(23)18-12-4-9-22(19-12)8-2-5-16/h4,9-10H,2-3,6-8H2,1H3,(H,18,19,23)
InChIKeyMNNOQAXBPHHQOW-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.63
Rot. Bonds5

About 4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165415429) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165415429
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(CCC#N)n1
InChIInChI=1S/C15H17N7O2/c1-20-13(11(10-17-20)15(24)21-6-3-7-21)14(23)18-12-4-9-22(19-12)8-2-5-16/h4,9-10H,2-3,6-8H2,1H3,(H,18,19,23)
InChIKeyMNNOQAXBPHHQOW-UHFFFAOYSA-N
XLogP0.63
TPSA108.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415385
4-(azetidine-1-carbonyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415409
4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415421
4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
CID 165415232
4-(azetidine-1-carbonyl)-N-(5-butyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415316
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415367
4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
CID 165415379
4-(azetidine-1-carbonyl)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415383
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415389
4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-5-methylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415394
4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415395
4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415397

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (CID 165415429) is 4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(CCC#N)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is MNNOQAXBPHHQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-20-13(11(10-17-20)15(24)21-6-3-7-21)14(23)18-12-4-9-22(19-12)8-2-5-16/h4,9-10H,2-3,6-8H2,1H3,(H,18,19,23).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).