1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid

C9H9F3N2O2 — CID 171833018

IUPAC1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid
SMILESCn1cc(C(F)(F)F)c(C2(C(=O)O)CC2)n1
InChIInChI=1S/C9H9F3N2O2/c1-14-4-5(9(10,11)12)6(13-14)8(2-3-8)7(15)16/h4H,2-3H2,1H3,(H,15,16)
InChIKeyJWIGVCHAHYKZPD-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.56
Rot. Bonds2

About 1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid

1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid (PubChem CID 171833018) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid
PubChem CID171833018
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid
SMILESCn1cc(C(F)(F)F)c(C2(C(=O)O)CC2)n1
InChIInChI=1S/C9H9F3N2O2/c1-14-4-5(9(10,11)12)6(13-14)8(2-3-8)7(15)16/h4H,2-3H2,1H3,(H,15,16)
InChIKeyJWIGVCHAHYKZPD-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid (CID 171833018) is 1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid is Cn1cc(C(F)(F)F)c(C2(C(=O)O)CC2)n1.
What is the InChIKey of 1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid?
The InChIKey is JWIGVCHAHYKZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-14-4-5(9(10,11)12)6(13-14)8(2-3-8)7(15)16/h4H,2-3H2,1H3,(H,15,16).
What are the key properties of 1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid?
1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid has a molecular weight of 234.18 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 171833018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).