(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride

C9H17ClN4O — CID 130685991

IUPAC(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
SMILESCCc1cc(NC(=O)[C@@H](C)N)n(C)n1.Cl
InChIInChI=1S/C9H16N4O.ClH/c1-4-7-5-8(13(3)12-7)11-9(14)6(2)10;/h5-6H,4,10H2,1-3H3,(H,11,14);1H/t6-;/m1./s1
InChIKeyYZUWADIUTVTDEI-FYZOBXCZSA-N
MW232.72 g/mol
LogP0.69
Rot. Bonds3

About (2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride

(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride (PubChem CID 130685991) has the molecular formula C9H17ClN4O and a molecular weight of 232.72 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
PubChem CID130685991
Molecular FormulaC9H17ClN4O
Molecular Weight232.72 g/mol
Exact Mass232.11
IUPAC Name(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
SMILESCCc1cc(NC(=O)[C@@H](C)N)n(C)n1.Cl
InChIInChI=1S/C9H16N4O.ClH/c1-4-7-5-8(13(3)12-7)11-9(14)6(2)10;/h5-6H,4,10H2,1-3H3,(H,11,14);1H/t6-;/m1./s1
InChIKeyYZUWADIUTVTDEI-FYZOBXCZSA-N
XLogP0.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.72
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111453629
(2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
CID 119337699
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
CID 111422828
(1-methyl-3-propylpyrazol-5-yl)urea
CID 130778456
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119822905
(2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride
CID 119680179
3-amino-N-(3-benzyl-1-methylpyrazol-5-yl)-2-hydroxy-3-methylbutanamide
CID 167787252
5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one
CID 116571684
1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea
CID 138043768
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121511
4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one
CID 116566741

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride (CID 130685991) is (2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride is CCc1cc(NC(=O)[C@@H](C)N)n(C)n1.Cl.
What is the InChIKey of (2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride?
The InChIKey is YZUWADIUTVTDEI-FYZOBXCZSA-N. The full InChI is InChI=1S/C9H16N4O.ClH/c1-4-7-5-8(13(3)12-7)11-9(14)6(2)10;/h5-6H,4,10H2,1-3H3,(H,11,14);1H/t6-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride?
(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride has a molecular weight of 232.72 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride is sourced from PubChem (CID 130685991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).