3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid

C16H19N3O3 — CID 119191202

IUPAC3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C16H19N3O3/c1-3-18(10-9-15(20)21)16(22)14-11-17-19(12(14)2)13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,20,21)
InChIKeyVORMJQRGZVVWQE-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.12
Rot. Bonds6

About 3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid

3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 119191202) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID119191202
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C16H19N3O3/c1-3-18(10-9-15(20)21)16(22)14-11-17-19(12(14)2)13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,20,21)
InChIKeyVORMJQRGZVVWQE-UHFFFAOYSA-N
XLogP2.12
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-benzyl-5-methylpyrazole-4-carbonyl)-ethylamino]propanoic acid
CID 119191117
N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 39947866
2-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]-ethylamino]acetic acid
CID 119206292
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34468319
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 134060993
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
CID 75405746
3-[[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119232427
N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 11403408
2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid
CID 119204742
N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid (CID 119191202) is 3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of 3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is VORMJQRGZVVWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-18(10-9-15(20)21)16(22)14-11-17-19(12(14)2)13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,20,21).
What are the key properties of 3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid?
3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119191202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).