5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole

C19H17F3N2O3 — CID 140579525

IUPAC5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole
SMILESCOc1cc(-c2cc(-c3ccccc3)n(C(F)(F)F)n2)cc(OC)c1OC
InChIInChI=1S/C19H17F3N2O3/c1-25-16-9-13(10-17(26-2)18(16)27-3)14-11-15(12-7-5-4-6-8-12)24(23-14)19(20,21)22/h4-11H,1-3H3
InChIKeySHXUAZUNSBZVCE-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.72
Rot. Bonds5

About 5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole

5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole (PubChem CID 140579525) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole.

Molecular Properties

Compound Name5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole
PubChem CID140579525
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole
SMILESCOc1cc(-c2cc(-c3ccccc3)n(C(F)(F)F)n2)cc(OC)c1OC
InChIInChI=1S/C19H17F3N2O3/c1-25-16-9-13(10-17(26-2)18(16)27-3)14-11-15(12-7-5-4-6-8-12)24(23-14)19(20,21)22/h4-11H,1-3H3
InChIKeySHXUAZUNSBZVCE-UHFFFAOYSA-N
XLogP4.72
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-5-phenyl-1-(trifluoromethyl)pyrazole
CID 140579501
1-tert-butyl-5-(4-chlorophenyl)-3-phenylpyrazole
CID 71661394
4-phenyl-6-(3,4,5-trimethoxyphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 134695234
2-phenyl-4-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 132502019
4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 122378727
2-[3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine
CID 17025286
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
4,7,8-trimethoxy-2-phenylquinoline
CID 20743676
1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71568811
3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole
CID 4575566
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 4014228

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole?
The IUPAC name of 5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole (CID 140579525) is 5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole.
What is the SMILES notation for 5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole?
The canonical SMILES for 5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole is COc1cc(-c2cc(-c3ccccc3)n(C(F)(F)F)n2)cc(OC)c1OC.
What is the InChIKey of 5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole?
The InChIKey is SHXUAZUNSBZVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-25-16-9-13(10-17(26-2)18(16)27-3)14-11-15(12-7-5-4-6-8-12)24(23-14)19(20,21)22/h4-11H,1-3H3.
What are the key properties of 5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole?
5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole has a molecular weight of 378.35 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole is sourced from PubChem (CID 140579525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).