(2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride

C17H25ClN4OS — CID 154913635

IUPAC(2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)Nc1c(C)cnn1Cc1cccc(C)c1.Cl
InChIInChI=1S/C17H24N4OS.ClH/c1-12-5-4-6-14(9-12)11-21-16(13(2)10-19-21)20-17(22)15(18)7-8-23-3;/h4-6,9-10,15H,7-8,11,18H2,1-3H3,(H,20,22);1H/t15-;/m0./s1
InChIKeyGGJKODWNVODIBD-RSAXXLAASA-N
MW368.93 g/mol
LogP2.99
Rot. Bonds7

About (2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 154913635) has the molecular formula C17H25ClN4OS and a molecular weight of 368.93 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride
PubChem CID154913635
Molecular FormulaC17H25ClN4OS
Molecular Weight368.93 g/mol
Exact Mass368.14
IUPAC Name(2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)Nc1c(C)cnn1Cc1cccc(C)c1.Cl
InChIInChI=1S/C17H24N4OS.ClH/c1-12-5-4-6-14(9-12)11-21-16(13(2)10-19-21)20-17(22)15(18)7-8-23-3;/h4-6,9-10,15H,7-8,11,18H2,1-3H3,(H,20,22);1H/t15-;/m0./s1
InChIKeyGGJKODWNVODIBD-RSAXXLAASA-N
XLogP2.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride (CID 154913635) is (2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride is CSCC[C@H](N)C(=O)Nc1c(C)cnn1Cc1cccc(C)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is GGJKODWNVODIBD-RSAXXLAASA-N. The full InChI is InChI=1S/C17H24N4OS.ClH/c1-12-5-4-6-14(9-12)11-21-16(13(2)10-19-21)20-17(22)15(18)7-8-23-3;/h4-6,9-10,15H,7-8,11,18H2,1-3H3,(H,20,22);1H/t15-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 368.93 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 154913635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).