(2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide

C13H20N6O — CID 97149299

IUPAC(2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)NCCn1nc(C)nc1C)n1cccn1
InChIInChI=1S/C13H20N6O/c1-4-12(19-8-5-6-15-19)13(20)14-7-9-18-11(3)16-10(2)17-18/h5-6,8,12H,4,7,9H2,1-3H3,(H,14,20)/t12-/m1/s1
InChIKeyAXYRIBWNQSCHNI-GFCCVEGCSA-N
MW276.34 g/mol
LogP0.86
Rot. Bonds6

About (2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide

(2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide (PubChem CID 97149299) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide
PubChem CID97149299
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name(2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)NCCn1nc(C)nc1C)n1cccn1
InChIInChI=1S/C13H20N6O/c1-4-12(19-8-5-6-15-19)13(20)14-7-9-18-11(3)16-10(2)17-18/h5-6,8,12H,4,7,9H2,1-3H3,(H,14,20)/t12-/m1/s1
InChIKeyAXYRIBWNQSCHNI-GFCCVEGCSA-N
XLogP0.86
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide 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-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylbutanamide
CID 91843238
(2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide
CID 126450922
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131902729
(2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide
CID 97147572
(2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97141074
(2S)-N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97119973
N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 72862860
(2S)-N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 124730361
5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 124843027
N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97131726
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide
CID 97133199
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72905914

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of (2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide (CID 97149299) is (2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for (2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for (2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide is CC[C@H](C(=O)NCCn1nc(C)nc1C)n1cccn1.
What is the InChIKey of (2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is AXYRIBWNQSCHNI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N6O/c1-4-12(19-8-5-6-15-19)13(20)14-7-9-18-11(3)16-10(2)17-18/h5-6,8,12H,4,7,9H2,1-3H3,(H,14,20)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide?
(2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 276.34 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 97149299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).