1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole

C13H13F3N2O — CID 134543652

IUPAC1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2C)n(C)n1
InChIInChI=1S/C13H13F3N2O/c1-8-6-10(19-13(14,15)16)4-5-11(8)12-7-9(2)17-18(12)3/h4-7H,1-3H3
InChIKeyPROPDRAZQICVNC-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.60
Rot. Bonds2

About 1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole

1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole (PubChem CID 134543652) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole
PubChem CID134543652
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2C)n(C)n1
InChIInChI=1S/C13H13F3N2O/c1-8-6-10(19-13(14,15)16)4-5-11(8)12-7-9(2)17-18(12)3/h4-7H,1-3H3
InChIKeyPROPDRAZQICVNC-UHFFFAOYSA-N
XLogP3.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine
CID 59241608
3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 142362632
methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine
CID 160502176
5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine
CID 134541735
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 134543915
methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine
CID 160912434
3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine
CID 142362562
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19481229
2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 142189252
2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene
CID 173192525
5-(trifluoromethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 172651324

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole?
The IUPAC name of 1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole (CID 134543652) is 1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole is Cc1cc(-c2ccc(OC(F)(F)F)cc2C)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole?
The InChIKey is PROPDRAZQICVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-8-6-10(19-13(14,15)16)4-5-11(8)12-7-9(2)17-18(12)3/h4-7H,1-3H3.
What are the key properties of 1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole?
1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole has a molecular weight of 270.25 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 134543652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).