(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide

C8H14N4O — CID 141403090

IUPAC(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
SMILESCc1cc(C[C@H](N)C(N)=O)n(C)n1
InChIInChI=1S/C8H14N4O/c1-5-3-6(12(2)11-5)4-7(9)8(10)13/h3,7H,4,9H2,1-2H3,(H2,10,13)/t7-/m0/s1
InChIKeyQDJSHQGLGPMEKS-ZETCQYMHSA-N
MW182.23 g/mol
LogP-0.92
Rot. Bonds3

About (2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide

(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide (PubChem CID 141403090) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
PubChem CID141403090
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
SMILESCc1cc(C[C@H](N)C(N)=O)n(C)n1
InChIInChI=1S/C8H14N4O/c1-5-3-6(12(2)11-5)4-7(9)8(10)13/h3,7H,4,9H2,1-2H3,(H2,10,13)/t7-/m0/s1
InChIKeyQDJSHQGLGPMEKS-ZETCQYMHSA-N
XLogP-0.92
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]triazol-4-yl]propanoic acid
CID 116734994
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
6-amino-2-[(2,5-dimethylpyrazol-3-yl)methyl]hexanoic acid
CID 104681535
1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115811450
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105158554
2,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 68886245
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027581
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107975911
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105158663
1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312547
1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 79522417

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide (CID 141403090) is (2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide is Cc1cc(C[C@H](N)C(N)=O)n(C)n1.
What is the InChIKey of (2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide?
The InChIKey is QDJSHQGLGPMEKS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5-3-6(12(2)11-5)4-7(9)8(10)13/h3,7H,4,9H2,1-2H3,(H2,10,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide?
(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide has a molecular weight of 182.23 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide is sourced from PubChem (CID 141403090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).