2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride

C14H19ClN4O — CID 119292189

IUPAC2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
SMILESCCn1cc(NC(=O)C(N)Cc2ccccc2)cn1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-2-18-10-12(9-16-18)17-14(19)13(15)8-11-6-4-3-5-7-11;/h3-7,9-10,13H,2,8,15H2,1H3,(H,17,19);1H
InChIKeyLVOQGYSIZQMOQV-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.83
Rot. Bonds5

About 2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride

2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 119292189) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
PubChem CID119292189
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
SMILESCCn1cc(NC(=O)C(N)Cc2ccccc2)cn1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-2-18-10-12(9-16-18)17-14(19)13(15)8-11-6-4-3-5-7-11;/h3-7,9-10,13H,2,8,15H2,1H3,(H,17,19);1H
InChIKeyLVOQGYSIZQMOQV-UHFFFAOYSA-N
XLogP1.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide
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(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-phenylpropanamide
CID 78984653
(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
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2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
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(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 61156101
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
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CID 119845900

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride (CID 119292189) is 2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride is CCn1cc(NC(=O)C(N)Cc2ccccc2)cn1.Cl.
What is the InChIKey of 2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is LVOQGYSIZQMOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-2-18-10-12(9-16-18)17-14(19)13(15)8-11-6-4-3-5-7-11;/h3-7,9-10,13H,2,8,15H2,1H3,(H,17,19);1H.
What are the key properties of 2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride?
2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 294.79 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119292189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).