3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole

C12H11F3N2O2 — CID 2823345

IUPAC3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1OC
InChIInChI=1S/C12H11F3N2O2/c1-18-9-4-3-7(5-10(9)19-2)8-6-11(17-16-8)12(13,14)15/h3-6H,1-2H3,(H,16,17)
InChIKeyURPKSFQMOBREDT-UHFFFAOYSA-N
MW272.23 g/mol
LogP3.11
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole

3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 2823345) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID2823345
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1OC
InChIInChI=1S/C12H11F3N2O2/c1-18-9-4-3-7(5-10(9)19-2)8-6-11(17-16-8)12(13,14)15/h3-6H,1-2H3,(H,16,17)
InChIKeyURPKSFQMOBREDT-UHFFFAOYSA-N
XLogP3.11
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-5-(4-methoxyphenyl)pyrazole
CID 2756469
4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 680670
3,5-bis(4-methoxyphenyl)-1H-pyrazole
CID 658538
Hydrazinocurcumin
CID 135494223
3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 785587
2-(5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl)phenol
CID 846291
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 745487
3-(3-Methoxyphenyl)-1H-Pyrazole
CID 2736766
Ethyl 2-(3-(5-(trifluoromethyl)-1H-pyrazol-3-yl)phenoxy)acetate (3b)
CID 127054047
Ethyl 2-(3-(3-(difluoromethyl)-1H-pyrazol-5-yl)phenoxy)acetate (3c)
CID 127054048
3-(3-Methoxyphenyl)-5-(Trifluoromethyl)-1h-Pyrazole
CID 22352557

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 2823345) is 3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole is COc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is URPKSFQMOBREDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-18-9-4-3-7(5-10(9)19-2)8-6-11(17-16-8)12(13,14)15/h3-6H,1-2H3,(H,16,17).
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 272.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 2823345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).