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

C11H15F3N2O2 — CID 66911509

IUPAC2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1nc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c1-4-8(10(17)18)16-9(11(12,13)14)5-7(15-16)6(2)3/h5-6,8H,4H2,1-3H3,(H,17,18)
InChIKeyRHRCCFCUXPNWOE-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.06
Rot. Bonds4

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

2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid (PubChem CID 66911509) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid
PubChem CID66911509
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1nc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c1-4-8(10(17)18)16-9(11(12,13)14)5-7(15-16)6(2)3/h5-6,8H,4H2,1-3H3,(H,17,18)
InChIKeyRHRCCFCUXPNWOE-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
The IUPAC name of 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid (CID 66911509) is 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
The canonical SMILES for 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid is CCC(C(=O)O)n1nc(C(C)C)cc1C(F)(F)F.
What is the InChIKey of 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
The InChIKey is RHRCCFCUXPNWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-4-8(10(17)18)16-9(11(12,13)14)5-7(15-16)6(2)3/h5-6,8H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid has a molecular weight of 264.25 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 66911509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).