1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide

C25H33N5O2 — CID 163295763

IUPAC1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccnc(C5CC5)c4)n[nH]3)CC2)CC1
InChIInChI=1S/C25H33N5O2/c1-16-2-6-20(7-3-16)27-24(31)18-9-12-30(13-10-18)25(32)23-15-22(28-29-23)19-8-11-26-21(14-19)17-4-5-17/h8,11,14-18,20H,2-7,9-10,12-13H2,1H3,(H,27,31)(H,28,29)
InChIKeyQOTQAFLRARHKAW-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.90
Rot. Bonds5

About 1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide

1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide (PubChem CID 163295763) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
PubChem CID163295763
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccnc(C5CC5)c4)n[nH]3)CC2)CC1
InChIInChI=1S/C25H33N5O2/c1-16-2-6-20(7-3-16)27-24(31)18-9-12-30(13-10-18)25(32)23-15-22(28-29-23)19-8-11-26-21(14-19)17-4-5-17/h8,11,14-18,20H,2-7,9-10,12-13H2,1H3,(H,27,31)(H,28,29)
InChIKeyQOTQAFLRARHKAW-UHFFFAOYSA-N
XLogP3.90
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide with MolForge

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Related Compounds

4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid
CID 169006139
1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 167375375
1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 167375058
N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163294964
N-cyclooctyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087505
1-[3-(2-methoxy-3-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 163295438
N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295106
N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 94080403
N-(2,6-dimethylphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087509
(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069495
(3S)-N-cyclopropyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892702

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide (CID 163295763) is 1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide is CC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccnc(C5CC5)c4)n[nH]3)CC2)CC1.
What is the InChIKey of 1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is QOTQAFLRARHKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-16-2-6-20(7-3-16)27-24(31)18-9-12-30(13-10-18)25(32)23-15-22(28-29-23)19-8-11-26-21(14-19)17-4-5-17/h8,11,14-18,20H,2-7,9-10,12-13H2,1H3,(H,27,31)(H,28,29).
What are the key properties of 1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 163295763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).