3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole

C14H13F3N2O — CID 71662984

IUPAC3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-n2nc(C3CC3)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O/c1-20-11-6-4-10(5-7-11)19-13(14(15,16)17)8-12(18-19)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeyQLYWAWOBPRLUPY-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.78
Rot. Bonds3

About 3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole

3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole (PubChem CID 71662984) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole
PubChem CID71662984
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-n2nc(C3CC3)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O/c1-20-11-6-4-10(5-7-11)19-13(14(15,16)17)8-12(18-19)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeyQLYWAWOBPRLUPY-UHFFFAOYSA-N
XLogP3.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole (CID 71662984) is 3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole is COc1ccc(-n2nc(C3CC3)cc2C(F)(F)F)cc1.
What is the InChIKey of 3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole?
The InChIKey is QLYWAWOBPRLUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-20-11-6-4-10(5-7-11)19-13(14(15,16)17)8-12(18-19)9-2-3-9/h4-9H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole?
3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole has a molecular weight of 282.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 71662984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).