(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride

C15H21ClN4O — CID 119399823

IUPAC(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(-c2ccn[nH]2)cc1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-10(2)9-13(16)15(20)18-12-5-3-11(4-6-12)14-7-8-17-19-14;/h3-8,10,13H,9,16H2,1-2H3,(H,17,19)(H,18,20);1H/t13-;/m0./s1
InChIKeyJTMLPYZLJYBCIR-ZOWNYOTGSA-N
MW308.81 g/mol
LogP2.81
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride (PubChem CID 119399823) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride
PubChem CID119399823
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(-c2ccn[nH]2)cc1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-10(2)9-13(16)15(20)18-12-5-3-11(4-6-12)14-7-8-17-19-14;/h3-8,10,13H,9,16H2,1-2H3,(H,17,19)(H,18,20);1H/t13-;/m0./s1
InChIKeyJTMLPYZLJYBCIR-ZOWNYOTGSA-N
XLogP2.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 61179187
2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 43711252
3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 62668887
(2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide
CID 104902852
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 116675831
2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide
CID 43704662
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
CID 119701898
2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61273999
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride (CID 119399823) is (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)Nc1ccc(-c2ccn[nH]2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride?
The InChIKey is JTMLPYZLJYBCIR-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-10(2)9-13(16)15(20)18-12-5-3-11(4-6-12)14-7-8-17-19-14;/h3-8,10,13H,9,16H2,1-2H3,(H,17,19)(H,18,20);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119399823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).