3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

C15H15N3O4 — CID 19506493

IUPAC3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(=O)c1ccc(NC(=O)c2ccn(CCC(=O)O)n2)cc1
InChIInChI=1S/C15H15N3O4/c1-10(19)11-2-4-12(5-3-11)16-15(22)13-6-8-18(17-13)9-7-14(20)21/h2-6,8H,7,9H2,1H3,(H,16,22)(H,20,21)
InChIKeyMMNQMTRVSAEZRR-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.81
Rot. Bonds6

About 3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19506493) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19506493
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(=O)c1ccc(NC(=O)c2ccn(CCC(=O)O)n2)cc1
InChIInChI=1S/C15H15N3O4/c1-10(19)11-2-4-12(5-3-11)16-15(22)13-6-8-18(17-13)9-7-14(20)21/h2-6,8H,7,9H2,1H3,(H,16,22)(H,20,21)
InChIKeyMMNQMTRVSAEZRR-UHFFFAOYSA-N
XLogP1.81
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506568
3-[3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506486
3-[3-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506688
3-[3-[(1-benzylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506527
N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide
CID 6469151
3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506557
3-[3-[(2,6-dibromo-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506479
2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500075
3-[3-[[4-chloro-1-[(4-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19470444
3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506544
1-[3-oxo-3-(4-propan-2-ylanilino)propyl]pyrazole-3-carboxylic acid
CID 19470585
1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35325067

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19506493) is 3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid is CC(=O)c1ccc(NC(=O)c2ccn(CCC(=O)O)n2)cc1.
What is the InChIKey of 3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is MMNQMTRVSAEZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-10(19)11-2-4-12(5-3-11)16-15(22)13-6-8-18(17-13)9-7-14(20)21/h2-6,8H,7,9H2,1H3,(H,16,22)(H,20,21).
What are the key properties of 3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 301.30 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19506493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).