(2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C17H19N7O — CID 97347741

IUPAC(2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)N1CCCC[C@H]1c1ncn[nH]1
InChIInChI=1S/C17H19N7O/c25-17(23-10-5-4-8-14(23)16-18-12-19-21-16)20-15-9-11-24(22-15)13-6-2-1-3-7-13/h1-3,6-7,9,11-12,14H,4-5,8,10H2,(H,18,19,21)(H,20,22,25)/t14-/m0/s1
InChIKeyBEHYFQOUYJTVFH-AWEZNQCLSA-N
MW337.39 g/mol
LogP2.75
Rot. Bonds3

About (2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

(2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 97347741) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is (2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID97347741
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)N1CCCC[C@H]1c1ncn[nH]1
InChIInChI=1S/C17H19N7O/c25-17(23-10-5-4-8-14(23)16-18-12-19-21-16)20-15-9-11-24(22-15)13-6-2-1-3-7-13/h1-3,6-7,9,11-12,14H,4-5,8,10H2,(H,18,19,21)(H,20,22,25)/t14-/m0/s1
InChIKeyBEHYFQOUYJTVFH-AWEZNQCLSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97346259
N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75397898
N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75518851
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991556
1H-pyrrol-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 97332578
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487845
2-(benzotriazol-1-yl)-1-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 154799821
1-[4-[2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 84594447
N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 154736967
N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 138033852
2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone
CID 141039818
(3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129398214

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 97347741) is (2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(Nc1ccn(-c2ccccc2)n1)N1CCCC[C@H]1c1ncn[nH]1.
What is the InChIKey of (2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is BEHYFQOUYJTVFH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N7O/c25-17(23-10-5-4-8-14(23)16-18-12-19-21-16)20-15-9-11-24(22-15)13-6-2-1-3-7-13/h1-3,6-7,9,11-12,14H,4-5,8,10H2,(H,18,19,21)(H,20,22,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
(2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97347741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).