1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C23H25N5O2 — CID 55809952

IUPAC1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3cc(C)n(-c4ccccc4)n3)CC2)nc1
InChIInChI=1S/C23H25N5O2/c1-16-8-9-21(24-15-16)25-22(29)18-10-12-27(13-11-18)23(30)20-14-17(2)28(26-20)19-6-4-3-5-7-19/h3-9,14-15,18H,10-13H2,1-2H3,(H,24,25,29)
InChIKeyLVHYNWXCGGEEFU-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.38
Rot. Bonds4

About 1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55809952) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55809952
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3cc(C)n(-c4ccccc4)n3)CC2)nc1
InChIInChI=1S/C23H25N5O2/c1-16-8-9-21(24-15-16)25-22(29)18-10-12-27(13-11-18)23(30)20-14-17(2)28(26-20)19-6-4-3-5-7-19/h3-9,14-15,18H,10-13H2,1-2H3,(H,24,25,29)
InChIKeyLVHYNWXCGGEEFU-UHFFFAOYSA-N
XLogP3.38
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 55930749
N-(5-methyl-2-pyridinyl)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 55810051
N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 55788858
1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810048
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55813120
N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790604
1-[2-(methoxymethyl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810115
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119518631
1-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 120512359
1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55876833

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55809952) is 1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(C)n(-c4ccccc4)n3)CC2)nc1.
What is the InChIKey of 1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is LVHYNWXCGGEEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16-8-9-21(24-15-16)25-22(29)18-10-12-27(13-11-18)23(30)20-14-17(2)28(26-20)19-6-4-3-5-7-19/h3-9,14-15,18H,10-13H2,1-2H3,(H,24,25,29).
What are the key properties of 1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55809952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).