3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide

C16H22N4O2 — CID 167787252

IUPAC3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide
SMILESCn1nc(Cc2ccccc2)cc1NC(=O)C(O)C(C)(C)N
InChIInChI=1S/C16H22N4O2/c1-16(2,17)14(21)15(22)18-13-10-12(19-20(13)3)9-11-7-5-4-6-8-11/h4-8,10,14,21H,9,17H2,1-3H3,(H,18,22)
InChIKeyGAVZDUWQCBYDFC-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.05
Rot. Bonds5

About 3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide

3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide (PubChem CID 167787252) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide
PubChem CID167787252
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide
SMILESCn1nc(Cc2ccccc2)cc1NC(=O)C(O)C(C)(C)N
InChIInChI=1S/C16H22N4O2/c1-16(2,17)14(21)15(22)18-13-10-12(19-20(13)3)9-11-7-5-4-6-8-11/h4-8,10,14,21H,9,17H2,1-3H3,(H,18,22)
InChIKeyGAVZDUWQCBYDFC-UHFFFAOYSA-N
XLogP1.05
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide 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-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119822905
(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
CID 130685991
3-benzyl-1,5-dimethylpyrazole
CID 13225476
benzyl N-[2-[[1-methyl-3-(3-methylbutyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamate
CID 119045213
N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine
CID 144735657
1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99702012
2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid
CID 167909633
N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide
CID 42109659
(3,3-difluorocyclobutyl) N-[3-[(4-fluorophenyl)methyl]-1-methylpyrazol-5-yl]carbamate
CID 169169485
N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide
CID 130679371
4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122088653
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide
CID 135532049

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide?
The IUPAC name of 3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide (CID 167787252) is 3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide is Cn1nc(Cc2ccccc2)cc1NC(=O)C(O)C(C)(C)N.
What is the InChIKey of 3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide?
The InChIKey is GAVZDUWQCBYDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,17)14(21)15(22)18-13-10-12(19-20(13)3)9-11-7-5-4-6-8-11/h4-8,10,14,21H,9,17H2,1-3H3,(H,18,22).
What are the key properties of 3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide?
3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide has a molecular weight of 302.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide is sourced from PubChem (CID 167787252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).