4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide

C18H24N6O2 — CID 165415338

IUPAC4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C18H24N6O2/c1-23-16(13(11-19-23)18(26)24-8-5-9-24)17(25)20-15-10-14(21-22-15)12-6-3-2-4-7-12/h10-12H,2-9H2,1H3,(H2,20,21,22,25)
InChIKeyKUQHXNOHPIYUMF-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.29
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 165415338) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide
PubChem CID165415338
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C18H24N6O2/c1-23-16(13(11-19-23)18(26)24-8-5-9-24)17(25)20-15-10-14(21-22-15)12-6-3-2-4-7-12/h10-12H,2-9H2,1H3,(H2,20,21,22,25)
InChIKeyKUQHXNOHPIYUMF-UHFFFAOYSA-N
XLogP2.29
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide (CID 165415338) is 4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(C2CCCCC2)[nH]n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is KUQHXNOHPIYUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-23-16(13(11-19-23)18(26)24-8-5-9-24)17(25)20-15-10-14(21-22-15)12-6-3-2-4-7-12/h10-12H,2-9H2,1H3,(H2,20,21,22,25).
What are the key properties of 4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).