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

C11H21ClN4O — CID 119680179

IUPAC(2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride
SMILESCc1cc(NC(=O)[C@@H](N)CC(C)C)n(C)n1.Cl
InChIInChI=1S/C11H20N4O.ClH/c1-7(2)5-9(12)11(16)13-10-6-8(3)14-15(10)4;/h6-7,9H,5,12H2,1-4H3,(H,13,16);1H/t9-;/m0./s1
InChIKeyYPVIAPXTRPEACP-FVGYRXGTSA-N
MW260.77 g/mol
LogP1.46
Rot. Bonds4

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

(2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride (PubChem CID 119680179) has the molecular formula C11H21ClN4O and a molecular weight of 260.77 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride
PubChem CID119680179
Molecular FormulaC11H21ClN4O
Molecular Weight260.77 g/mol
Exact Mass260.14
IUPAC Name(2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride
SMILESCc1cc(NC(=O)[C@@H](N)CC(C)C)n(C)n1.Cl
InChIInChI=1S/C11H20N4O.ClH/c1-7(2)5-9(12)11(16)13-10-6-8(3)14-15(10)4;/h6-7,9H,5,12H2,1-4H3,(H,13,16);1H/t9-;/m0./s1
InChIKeyYPVIAPXTRPEACP-FVGYRXGTSA-N
XLogP1.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 130679371
2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 43180348
4-amino-N-(2,5-dimethylpyrazol-3-yl)pentanamide;hydrochloride
CID 120558953
(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide
CID 103811522
2-amino-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
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N-(2,5-dimethylpyrazol-3-yl)-2-ethoxypropanamide
CID 60555284
2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide
CID 120783566
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
CID 119733250
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 52915206
(2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide
CID 10704927
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
CID 115581839
N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide
CID 42109659

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride (CID 119680179) is (2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride is Cc1cc(NC(=O)[C@@H](N)CC(C)C)n(C)n1.Cl.
What is the InChIKey of (2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride?
The InChIKey is YPVIAPXTRPEACP-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H20N4O.ClH/c1-7(2)5-9(12)11(16)13-10-6-8(3)14-15(10)4;/h6-7,9H,5,12H2,1-4H3,(H,13,16);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride has a molecular weight of 260.77 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119680179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).