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

C14H15N3O3 — CID 60988552

IUPAC3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c1-16(9-8-13(18)19)14(20)12-7-10-17(15-12)11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyCTCWJVUEYWJBDV-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.42
Rot. Bonds5

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

3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 60988552) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
PubChem CID60988552
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c1-16(9-8-13(18)19)14(20)12-7-10-17(15-12)11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyCTCWJVUEYWJBDV-UHFFFAOYSA-N
XLogP1.42
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119232438
methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 60520905
3-[methyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232920
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 46478570
3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 84588965
2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 60827395
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide
CID 82723479

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid (CID 60988552) is 3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is CTCWJVUEYWJBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-16(9-8-13(18)19)14(20)12-7-10-17(15-12)11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of 3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid?
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 60988552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).