3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid

C12H14F3N3O3 — CID 60845253

IUPAC3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)Cn1ccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)9-3-5-17(16-9)7-10(19)18(8-1-2-8)6-4-11(20)21/h3,5,8H,1-2,4,6-7H2,(H,20,21)
InChIKeyWHOHVBJNPVDBCK-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.37
Rot. Bonds6

About 3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid

3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid (PubChem CID 60845253) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid
PubChem CID60845253
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)Cn1ccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)9-3-5-17(16-9)7-10(19)18(8-1-2-8)6-4-11(20)21/h3,5,8H,1-2,4,6-7H2,(H,20,21)
InChIKeyWHOHVBJNPVDBCK-UHFFFAOYSA-N
XLogP1.37
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]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 3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid (CID 60845253) is 3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid is O=C(O)CCN(C(=O)Cn1ccc(C(F)(F)F)n1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid?
The InChIKey is WHOHVBJNPVDBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c13-12(14,15)9-3-5-17(16-9)7-10(19)18(8-1-2-8)6-4-11(20)21/h3,5,8H,1-2,4,6-7H2,(H,20,21).
What are the key properties of 3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid?
3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid has a molecular weight of 305.26 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 60845253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).