3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

C10H10ClF3N2O2 — CID 7018515

IUPAC3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C10H10ClF3N2O2/c11-7-8(5-1-2-5)16(4-3-6(17)18)15-9(7)10(12,13)14/h5H,1-4H2,(H,17,18)
InChIKeyLKXHZSKSXGAYPW-UHFFFAOYSA-N
MW282.65 g/mol
LogP2.91
Rot. Bonds4

About 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (PubChem CID 7018515) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
PubChem CID7018515
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C10H10ClF3N2O2/c11-7-8(5-1-2-5)16(4-3-6(17)18)15-9(7)10(12,13)14/h5H,1-4H2,(H,17,18)
InChIKeyLKXHZSKSXGAYPW-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (CID 7018515) is 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The InChIKey is LKXHZSKSXGAYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c11-7-8(5-1-2-5)16(4-3-6(17)18)15-9(7)10(12,13)14/h5H,1-4H2,(H,17,18).
What are the key properties of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid has a molecular weight of 282.65 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 7018515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).