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

C10H11F3N2O2 — CID 7018513

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)8-5-7(6-1-2-6)15(14-8)4-3-9(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyNSHHJMBUPYGXKS-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.25
Rot. Bonds4

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

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (PubChem CID 7018513) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
PubChem CID7018513
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)8-5-7(6-1-2-6)15(14-8)4-3-9(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyNSHHJMBUPYGXKS-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (CID 7018513) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The InChIKey is NSHHJMBUPYGXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)8-5-7(6-1-2-6)15(14-8)4-3-9(16)17/h5-6H,1-4H2,(H,16,17).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid has a molecular weight of 248.20 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 7018513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).