(3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide

C17H19N7O — CID 124562913

IUPAC(3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(-n2ccnn2)cc1)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C17H19N7O/c25-17(23-10-1-2-13(12-23)16-7-8-18-21-16)20-14-3-5-15(6-4-14)24-11-9-19-22-24/h3-9,11,13H,1-2,10,12H2,(H,18,21)(H,20,25)/t13-/m1/s1
InChIKeyVEHSBUAOEPUXTN-CYBMUJFWSA-N
MW337.39 g/mol
LogP2.40
Rot. Bonds3

About (3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide

(3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 124562913) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is (3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide
PubChem CID124562913
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(-n2ccnn2)cc1)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C17H19N7O/c25-17(23-10-1-2-13(12-23)16-7-8-18-21-16)20-14-3-5-15(6-4-14)24-11-9-19-22-24/h3-9,11,13H,1-2,10,12H2,(H,18,21)(H,20,25)/t13-/m1/s1
InChIKeyVEHSBUAOEPUXTN-CYBMUJFWSA-N
XLogP2.40
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166207366
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 118762325
N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166197984
2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 119042237
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
(3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 97268219
cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95775037
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226
N-(2,6-dimethoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 118763053

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide (CID 124562913) is (3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(-n2ccnn2)cc1)N1CCC[C@@H](c2ccn[nH]2)C1.
What is the InChIKey of (3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is VEHSBUAOEPUXTN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N7O/c25-17(23-10-1-2-13(12-23)16-7-8-18-21-16)20-14-3-5-15(6-4-14)24-11-9-19-22-24/h3-9,11,13H,1-2,10,12H2,(H,18,21)(H,20,25)/t13-/m1/s1.
What are the key properties of (3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide?
(3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 124562913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).