2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid

C15H14F3N3O3 — CID 120524741

IUPAC2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)c2ccc(CCC(F)(F)F)cc2)n1
InChIInChI=1S/C15H14F3N3O3/c16-15(17,18)7-5-10-1-3-11(4-2-10)14(24)19-12-6-8-21(20-12)9-13(22)23/h1-4,6,8H,5,7,9H2,(H,22,23)(H,19,20,24)
InChIKeyCHJSKKOLPUGBFD-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.71
Rot. Bonds6

About 2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 120524741) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID120524741
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)c2ccc(CCC(F)(F)F)cc2)n1
InChIInChI=1S/C15H14F3N3O3/c16-15(17,18)7-5-10-1-3-11(4-2-10)14(24)19-12-6-8-21(20-12)9-13(22)23/h1-4,6,8H,5,7,9H2,(H,22,23)(H,19,20,24)
InChIKeyCHJSKKOLPUGBFD-UHFFFAOYSA-N
XLogP2.71
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic 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-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 119231069
2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 119230457
2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 120524735
2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid
CID 99599206
2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid
CID 119230555
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid
CID 119230954
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-methyl-2-[4-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120697314

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid (CID 120524741) is 2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(NC(=O)c2ccc(CCC(F)(F)F)cc2)n1.
What is the InChIKey of 2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is CHJSKKOLPUGBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c16-15(17,18)7-5-10-1-3-11(4-2-10)14(24)19-12-6-8-21(20-12)9-13(22)23/h1-4,6,8H,5,7,9H2,(H,22,23)(H,19,20,24).
What are the key properties of 2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 341.29 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 120524741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).