2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid

C17H18FN3O3 — CID 119202793

IUPAC2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid
SMILESCc1c(C(=O)N(C2CC2)C(C)C(=O)O)cnn1-c1ccccc1F
InChIInChI=1S/C17H18FN3O3/c1-10-13(9-19-21(10)15-6-4-3-5-14(15)18)16(22)20(12-7-8-12)11(2)17(23)24/h3-6,9,11-12H,7-8H2,1-2H3,(H,23,24)
InChIKeyRIXOGPGFBLRCSC-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.40
Rot. Bonds5

About 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid

2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid (PubChem CID 119202793) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid
PubChem CID119202793
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid
SMILESCc1c(C(=O)N(C2CC2)C(C)C(=O)O)cnn1-c1ccccc1F
InChIInChI=1S/C17H18FN3O3/c1-10-13(9-19-21(10)15-6-4-3-5-14(15)18)16(22)20(12-7-8-12)11(2)17(23)24/h3-6,9,11-12H,7-8H2,1-2H3,(H,23,24)
InChIKeyRIXOGPGFBLRCSC-UHFFFAOYSA-N
XLogP2.40
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]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

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid (CID 119202793) is 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid is Cc1c(C(=O)N(C2CC2)C(C)C(=O)O)cnn1-c1ccccc1F.
What is the InChIKey of 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid?
The InChIKey is RIXOGPGFBLRCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-10-13(9-19-21(10)15-6-4-3-5-14(15)18)16(22)20(12-7-8-12)11(2)17(23)24/h3-6,9,11-12H,7-8H2,1-2H3,(H,23,24).
What are the key properties of 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid?
2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid has a molecular weight of 331.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119202793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).