1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide

C17H25BrN4O2 — CID 163295262

IUPAC1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(C(=O)c3cc(Br)[nH]n3)CC2)CC1
InChIInChI=1S/C17H25BrN4O2/c1-11-2-4-13(5-3-11)19-16(23)12-6-8-22(9-7-12)17(24)14-10-15(18)21-20-14/h10-13H,2-9H2,1H3,(H,19,23)(H,20,21)
InChIKeyBQUWUALDDCCJLX-UHFFFAOYSA-N
MW397.32 g/mol
LogP2.72
Rot. Bonds3

About 1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide

1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide (PubChem CID 163295262) has the molecular formula C17H25BrN4O2 and a molecular weight of 397.32 g/mol. Its IUPAC name is 1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide
PubChem CID163295262
Molecular FormulaC17H25BrN4O2
Molecular Weight397.32 g/mol
Exact Mass396.12
IUPAC Name1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(C(=O)c3cc(Br)[nH]n3)CC2)CC1
InChIInChI=1S/C17H25BrN4O2/c1-11-2-4-13(5-3-11)19-16(23)12-6-8-22(9-7-12)17(24)14-10-15(18)21-20-14/h10-13H,2-9H2,1H3,(H,19,23)(H,20,21)
InChIKeyBQUWUALDDCCJLX-UHFFFAOYSA-N
XLogP2.72
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide (CID 163295262) is 1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide is CC1CCC(NC(=O)C2CCN(C(=O)c3cc(Br)[nH]n3)CC2)CC1.
What is the InChIKey of 1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is BQUWUALDDCCJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN4O2/c1-11-2-4-13(5-3-11)19-16(23)12-6-8-22(9-7-12)17(24)14-10-15(18)21-20-14/h10-13H,2-9H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 397.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-pyrazole-3-carbonyl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 163295262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).