ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate

C11H13F3N2O2 — CID 58542524

IUPACethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)c(C2CC2)nn1C
InChIInChI=1S/C11H13F3N2O2/c1-3-18-10(17)9-7(11(12,13)14)8(6-4-5-6)15-16(9)2/h6H,3-5H2,1-2H3
InChIKeySCTYOUMLUHOLSR-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.49
Rot. Bonds3

About ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate

ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate (PubChem CID 58542524) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate
PubChem CID58542524
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Nameethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)c(C2CC2)nn1C
InChIInChI=1S/C11H13F3N2O2/c1-3-18-10(17)9-7(11(12,13)14)8(6-4-5-6)15-16(9)2/h6H,3-5H2,1-2H3
InChIKeySCTYOUMLUHOLSR-UHFFFAOYSA-N
XLogP2.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate (CID 58542524) is ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate is CCOC(=O)c1c(C(F)(F)F)c(C2CC2)nn1C.
What is the InChIKey of ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate?
The InChIKey is SCTYOUMLUHOLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-3-18-10(17)9-7(11(12,13)14)8(6-4-5-6)15-16(9)2/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate?
ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate has a molecular weight of 262.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carboxylate is sourced from PubChem (CID 58542524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).