N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

C15H23N7O — CID 95979170

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCCC[C@H]1Cn1cncn1
InChIInChI=1S/C15H23N7O/c1-11-15(12(2)20-19-11)18-14(23)8-21-6-4-3-5-13(21)7-22-10-16-9-17-22/h9-10,13H,3-8H2,1-2H3,(H,18,23)(H,19,20)/t13-/m0/s1
InChIKeyJPVGHDROZITNAW-ZDUSSCGKSA-N
MW317.40 g/mol
LogP1.11
Rot. Bonds5

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 95979170) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID95979170
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCCC[C@H]1Cn1cncn1
InChIInChI=1S/C15H23N7O/c1-11-15(12(2)20-19-11)18-14(23)8-21-6-4-3-5-13(21)7-22-10-16-9-17-22/h9-10,13H,3-8H2,1-2H3,(H,18,23)(H,19,20)/t13-/m0/s1
InChIKeyJPVGHDROZITNAW-ZDUSSCGKSA-N
XLogP1.11
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 95304967
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide
CID 55100215
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802705
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95609860
N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95323473
N-(2-acetamidoethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95978835
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide
CID 96540886
2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 96549122
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]acetamide
CID 71920097
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 98763927
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
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CID 95307679

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 95979170) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is Cc1n[nH]c(C)c1NC(=O)CN1CCCC[C@H]1Cn1cncn1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is JPVGHDROZITNAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N7O/c1-11-15(12(2)20-19-11)18-14(23)8-21-6-4-3-5-13(21)7-22-10-16-9-17-22/h9-10,13H,3-8H2,1-2H3,(H,18,23)(H,19,20)/t13-/m0/s1.
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 317.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95979170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).