2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid

C16H18F3N5O3 — CID 19482539

IUPAC2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1C(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H18F3N5O3/c17-16(18,19)13-8-12(10-2-3-10)23(22-13)7-1-5-20-15(27)11-4-6-21-24(11)9-14(25)26/h4,6,8,10H,1-3,5,7,9H2,(H,20,27)(H,25,26)
InChIKeySXLVSJQIGKGYGG-UHFFFAOYSA-N
MW385.35 g/mol
LogP1.88
Rot. Bonds8

About 2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid

2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19482539) has the molecular formula C16H18F3N5O3 and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19482539
Molecular FormulaC16H18F3N5O3
Molecular Weight385.35 g/mol
Exact Mass385.14
IUPAC Name2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1C(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H18F3N5O3/c17-16(18,19)13-8-12(10-2-3-10)23(22-13)7-1-5-20-15(27)11-4-6-21-24(11)9-14(25)26/h4,6,8,10H,1-3,5,7,9H2,(H,20,27)(H,25,26)
InChIKeySXLVSJQIGKGYGG-UHFFFAOYSA-N
XLogP1.88
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid (CID 19482539) is 2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1nccc1C(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is SXLVSJQIGKGYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O3/c17-16(18,19)13-8-12(10-2-3-10)23(22-13)7-1-5-20-15(27)11-4-6-21-24(11)9-14(25)26/h4,6,8,10H,1-3,5,7,9H2,(H,20,27)(H,25,26).
What are the key properties of 2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid?
2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 385.35 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19482539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).