2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

C10H10ClF3N2O2 — CID 19619540

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C10H10ClF3N2O2/c1-4(9(17)18)16-7(5-2-3-5)6(11)8(15-16)10(12,13)14/h4-5H,2-3H2,1H3,(H,17,18)
InChIKeyNFZYIAQTUJTWAA-UHFFFAOYSA-N
MW282.65 g/mol
LogP3.08
Rot. Bonds3

About 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (PubChem CID 19619540) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
PubChem CID19619540
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C10H10ClF3N2O2/c1-4(9(17)18)16-7(5-2-3-5)6(11)8(15-16)10(12,13)14/h4-5H,2-3H2,1H3,(H,17,18)
InChIKeyNFZYIAQTUJTWAA-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (CID 19619540) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The InChIKey is NFZYIAQTUJTWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c1-4(9(17)18)16-7(5-2-3-5)6(11)8(15-16)10(12,13)14/h4-5H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid has a molecular weight of 282.65 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19619540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).