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

C11H13F3N2O2 — CID 19576766

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C11H13F3N2O2/c1-2-7(10(17)18)16-8(6-3-4-6)5-9(15-16)11(12,13)14/h5-7H,2-4H2,1H3,(H,17,18)
InChIKeyBASBQNODNSGKMO-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.82
Rot. Bonds4

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

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid (PubChem CID 19576766) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
PubChem CID19576766
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C11H13F3N2O2/c1-2-7(10(17)18)16-8(6-3-4-6)5-9(15-16)11(12,13)14/h5-7H,2-4H2,1H3,(H,17,18)
InChIKeyBASBQNODNSGKMO-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid (CID 19576766) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid is CCC(C(=O)O)n1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
The InChIKey is BASBQNODNSGKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-7(10(17)18)16-8(6-3-4-6)5-9(15-16)11(12,13)14/h5-7H,2-4H2,1H3,(H,17,18).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid has a molecular weight of 262.23 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 19576766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).