4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole

C13H13F3N2 — CID 142637004

IUPAC4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCCc1c(-c2ccc(C)cc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C13H13F3N2/c1-3-10-11(9-6-4-8(2)5-7-9)17-18-12(10)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyOOIPLNDGTCSZSF-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.97
Rot. Bonds2

About 4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole

4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 142637004) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID142637004
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCCc1c(-c2ccc(C)cc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C13H13F3N2/c1-3-10-11(9-6-4-8(2)5-7-9)17-18-12(10)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyOOIPLNDGTCSZSF-UHFFFAOYSA-N
XLogP3.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 142637004) is 4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole is CCc1c(-c2ccc(C)cc2)n[nH]c1C(F)(F)F.
What is the InChIKey of 4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is OOIPLNDGTCSZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-3-10-11(9-6-4-8(2)5-7-9)17-18-12(10)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 254.25 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 142637004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).