(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride

C17H25ClN4O — CID 119733250

IUPAC(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
SMILESCc1cc(C)n(-c2cccc(NC(=O)[C@@H](N)CC(C)C)c2)n1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-11(2)8-16(18)17(22)19-14-6-5-7-15(10-14)21-13(4)9-12(3)20-21;/h5-7,9-11,16H,8,18H2,1-4H3,(H,19,22);1H/t16-;/m0./s1
InChIKeyKQFODMGKYSCDKQ-NTISSMGPSA-N
MW336.87 g/mol
LogP3.22
Rot. Bonds5

About (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride (PubChem CID 119733250) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
PubChem CID119733250
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
SMILESCc1cc(C)n(-c2cccc(NC(=O)[C@@H](N)CC(C)C)c2)n1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-11(2)8-16(18)17(22)19-14-6-5-7-15(10-14)21-13(4)9-12(3)20-21;/h5-7,9-11,16H,8,18H2,1-4H3,(H,19,22);1H/t16-;/m0./s1
InChIKeyKQFODMGKYSCDKQ-NTISSMGPSA-N
XLogP3.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride 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

(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294768
(2R)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294780
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 119294783
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide
CID 119731557
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide
CID 56580511
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902677
(2S)-2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-4-methylpentanamide
CID 119752936

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride (CID 119733250) is (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride is Cc1cc(C)n(-c2cccc(NC(=O)[C@@H](N)CC(C)C)c2)n1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride?
The InChIKey is KQFODMGKYSCDKQ-NTISSMGPSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-11(2)8-16(18)17(22)19-14-6-5-7-15(10-14)21-13(4)9-12(3)20-21;/h5-7,9-11,16H,8,18H2,1-4H3,(H,19,22);1H/t16-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119733250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).