4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid

C15H17N3O3 — CID 43090429

IUPAC4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N3O3/c1-17(9-5-8-14(19)20)15(21)12-10-16-18(11-12)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20)
InChIKeyOQYIYBQTEBLGNI-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.81
Rot. Bonds6

About 4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid

4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid (PubChem CID 43090429) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
PubChem CID43090429
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N3O3/c1-17(9-5-8-14(19)20)15(21)12-10-16-18(11-12)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20)
InChIKeyOQYIYBQTEBLGNI-UHFFFAOYSA-N
XLogP1.81
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid
CID 119173115
N-(2-bromopropyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 80664984
4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid
CID 43322472
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18114053
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 76929282
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119655061
2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 61022217
3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 60989525
N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 115771673
3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid
CID 115731312
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid (CID 43090429) is 4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid?
The InChIKey is OQYIYBQTEBLGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17(9-5-8-14(19)20)15(21)12-10-16-18(11-12)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20).
What are the key properties of 4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid?
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43090429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).