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

C18H24N6O2 — CID 165415395

IUPAC4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(C2CCCCC2)n1
InChIInChI=1S/C18H24N6O2/c1-22-16(14(12-19-22)18(26)23-9-5-10-23)17(25)20-15-8-11-24(21-15)13-6-3-2-4-7-13/h8,11-13H,2-7,9-10H2,1H3,(H,20,21,25)
InChIKeyCXSJJZBSWFUJQJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.22
Rot. Bonds4

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

4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 165415395) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
PubChem CID165415395
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(C2CCCCC2)n1
InChIInChI=1S/C18H24N6O2/c1-22-16(14(12-19-22)18(26)23-9-5-10-23)17(25)20-15-8-11-24(21-15)13-6-3-2-4-7-13/h8,11-13H,2-7,9-10H2,1H3,(H,20,21,25)
InChIKeyCXSJJZBSWFUJQJ-UHFFFAOYSA-N
XLogP2.22
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415380
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-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415305
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

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide (CID 165415395) is 4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(C2CCCCC2)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is CXSJJZBSWFUJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-22-16(14(12-19-22)18(26)23-9-5-10-23)17(25)20-15-8-11-24(21-15)13-6-3-2-4-7-13/h8,11-13H,2-7,9-10H2,1H3,(H,20,21,25).
What are the key properties of 4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.22, 4 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-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).