2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

C14H14FN3O3 — CID 19504084

IUPAC2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1cc(F)ccc1NC(=O)c1ccn(C(C)C(=O)O)n1
InChIInChI=1S/C14H14FN3O3/c1-8-7-10(15)3-4-11(8)16-13(19)12-5-6-18(17-12)9(2)14(20)21/h3-7,9H,1-2H3,(H,16,19)(H,20,21)
InChIKeyPXINCXUYZVMSEA-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.23
Rot. Bonds4

About 2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19504084) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19504084
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1cc(F)ccc1NC(=O)c1ccn(C(C)C(=O)O)n1
InChIInChI=1S/C14H14FN3O3/c1-8-7-10(15)3-4-11(8)16-13(19)12-5-6-18(17-12)9(2)14(20)21/h3-7,9H,1-2H3,(H,16,19)(H,20,21)
InChIKeyPXINCXUYZVMSEA-UHFFFAOYSA-N
XLogP2.23
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[[2-(difluoromethoxy)-4-methylphenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504196
2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623442
2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504136
2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504039
2-[3-[(3-methoxycarbonyl-5-methylthiophen-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504152
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 19268513
2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623448
2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623443
1-(3-fluorophenyl)-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 47859630
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 31456332

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19504084) is 2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid is Cc1cc(F)ccc1NC(=O)c1ccn(C(C)C(=O)O)n1.
What is the InChIKey of 2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is PXINCXUYZVMSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-8-7-10(15)3-4-11(8)16-13(19)12-5-6-18(17-12)9(2)14(20)21/h3-7,9H,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 291.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).