2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid

C9H9F3N2O2 — CID 70817279

IUPAC2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cnn(C2CC2)c1C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)8-5(3-7(15)16)4-13-14(8)6-1-2-6/h4,6H,1-3H2,(H,15,16)
InChIKeyWPGXHPIPGLZJRK-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.86
Rot. Bonds3

About 2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid

2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid (PubChem CID 70817279) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid
PubChem CID70817279
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cnn(C2CC2)c1C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)8-5(3-7(15)16)4-13-14(8)6-1-2-6/h4,6H,1-3H2,(H,15,16)
InChIKeyWPGXHPIPGLZJRK-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid (CID 70817279) is 2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid is O=C(O)Cc1cnn(C2CC2)c1C(F)(F)F.
What is the InChIKey of 2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid?
The InChIKey is WPGXHPIPGLZJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)8-5(3-7(15)16)4-13-14(8)6-1-2-6/h4,6H,1-3H2,(H,15,16).
What are the key properties of 2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid?
2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid has a molecular weight of 234.18 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 70817279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).