4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole

C15H17F3N2O — CID 10851605

IUPAC4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCCc1ccc(Cc2c(OC)nn(C)c2C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O/c1-4-10-5-7-11(8-6-10)9-12-13(15(16,17)18)20(2)19-14(12)21-3/h5-8H,4,9H2,1-3H3
InChIKeyCPBWWCYCWGDEGL-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.60
Rot. Bonds4

About 4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole

4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 10851605) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID10851605
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCCc1ccc(Cc2c(OC)nn(C)c2C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O/c1-4-10-5-7-11(8-6-10)9-12-13(15(16,17)18)20(2)19-14(12)21-3/h5-8H,4,9H2,1-3H3
InChIKeyCPBWWCYCWGDEGL-UHFFFAOYSA-N
XLogP3.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole (CID 10851605) is 4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole is CCc1ccc(Cc2c(OC)nn(C)c2C(F)(F)F)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is CPBWWCYCWGDEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-4-10-5-7-11(8-6-10)9-12-13(15(16,17)18)20(2)19-14(12)21-3/h5-8H,4,9H2,1-3H3.
What are the key properties of 4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole?
4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 298.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10851605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).