(2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide

C19H23N7O — CID 97434742

IUPAC(2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(-n2cncn2)c1)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C19H23N7O/c27-19(23-16-5-3-7-18(13-16)26-15-20-14-22-26)25-11-2-1-6-17(25)8-12-24-10-4-9-21-24/h3-5,7,9-10,13-15,17H,1-2,6,8,11-12H2,(H,23,27)/t17-/m1/s1
InChIKeyBDMPYLBUYLGHKV-QGZVFWFLSA-N
MW365.44 g/mol
LogP2.94
Rot. Bonds5

About (2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide

(2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 97434742) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is (2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide
PubChem CID97434742
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name(2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(-n2cncn2)c1)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C19H23N7O/c27-19(23-16-5-3-7-18(13-16)26-15-20-14-22-26)25-11-2-1-6-17(25)8-12-24-10-4-9-21-24/h3-5,7,9-10,13-15,17H,1-2,6,8,11-12H2,(H,23,27)/t17-/m1/s1
InChIKeyBDMPYLBUYLGHKV-QGZVFWFLSA-N
XLogP2.94
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 56887203
N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118795948
2-(2-morpholin-4-ylethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 72897752
(2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97456362
N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 72936728
(2R)-N-(1H-indol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 125171803
(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126423251
(2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97453580
1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96579347
N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 126807058
[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70729734
(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 95714167

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide (CID 97434742) is (2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide is O=C(Nc1cccc(-n2cncn2)c1)N1CCCC[C@@H]1CCn1cccn1.
What is the InChIKey of (2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is BDMPYLBUYLGHKV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N7O/c27-19(23-16-5-3-7-18(13-16)26-15-20-14-22-26)25-11-2-1-6-17(25)8-12-24-10-4-9-21-24/h3-5,7,9-10,13-15,17H,1-2,6,8,11-12H2,(H,23,27)/t17-/m1/s1.
What are the key properties of (2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide?
(2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 97434742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).