N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide

C13H17N3O2S — CID 97247908

IUPACN-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](CCO)c2cccs2)n(C)n1
InChIInChI=1S/C13H17N3O2S/c1-9-8-11(16(2)15-9)13(18)14-10(5-6-17)12-4-3-7-19-12/h3-4,7-8,10,17H,5-6H2,1-2H3,(H,14,18)/t10-/m1/s1
InChIKeyNVUMZUZOIICRHJ-SNVBAGLBSA-N
MW279.37 g/mol
LogP1.64
Rot. Bonds5

About N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide

N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 97247908) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID97247908
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](CCO)c2cccs2)n(C)n1
InChIInChI=1S/C13H17N3O2S/c1-9-8-11(16(2)15-9)13(18)14-10(5-6-17)12-4-3-7-19-12/h3-4,7-8,10,17H,5-6H2,1-2H3,(H,14,18)/t10-/m1/s1
InChIKeyNVUMZUZOIICRHJ-SNVBAGLBSA-N
XLogP1.64
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-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

(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823484
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2-methoxypyridine-3-carboxamide
CID 97235405
N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70758162
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide
CID 125439641
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695
1-methyl-N-(1-thiophen-2-ylbutyl)benzotriazole-5-carboxamide
CID 56753214
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107861204
2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide
CID 60619872
(3R)-3-(2-chlorophenyl)-3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid
CID 97215063
3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 75393355
1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one
CID 105101493
N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide
CID 139821332

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide (CID 97247908) is N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N[C@H](CCO)c2cccs2)n(C)n1.
What is the InChIKey of N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is NVUMZUZOIICRHJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-8-11(16(2)15-9)13(18)14-10(5-6-17)12-4-3-7-19-12/h3-4,7-8,10,17H,5-6H2,1-2H3,(H,14,18)/t10-/m1/s1.
What are the key properties of N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 97247908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).