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

C15H15F3N2O — CID 143749362

IUPAC5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole
SMILESCc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C
InChIInChI=1S/C15H15F3N2O/c1-9-10(2)19-20(14(9)11-6-7-11)12-4-3-5-13(8-12)21-15(16,17)18/h3-5,8,11H,6-7H2,1-2H3
InChIKeyJQJXYEOVRIICSZ-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.27
Rot. Bonds3

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

5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole (PubChem CID 143749362) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole
PubChem CID143749362
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole
SMILESCc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C
InChIInChI=1S/C15H15F3N2O/c1-9-10(2)19-20(14(9)11-6-7-11)12-4-3-5-13(8-12)21-15(16,17)18/h3-5,8,11H,6-7H2,1-2H3
InChIKeyJQJXYEOVRIICSZ-UHFFFAOYSA-N
XLogP4.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazole-4-carbaldehyde
CID 143749406
[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-(3-hydroxy-4-methylpyrrolidin-1-yl)piperidin-1-yl]methanone
CID 67314808
5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazole-4-carbaldehyde;3-methyl-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol
CID 143749405
3-bromo-1-[3-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 155581393
2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole
CID 173241716
[5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 25206417
3-methyl-6-(2,2,2-trifluoroethyl)-1-[3-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-d]pyrimidine-4-thione
CID 155714917
2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole
CID 70285773
(7R)-3-(2,6-dimethyl-4-pyridinyl)-7-methyl-1-[3-(trifluoromethoxy)phenyl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole
CID 142592495
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile
CID 114798809
(3aR,4S,6aS)-2-[3-(trifluoromethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 66996732

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole?
The IUPAC name of 5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole (CID 143749362) is 5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole is Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C.
What is the InChIKey of 5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole?
The InChIKey is JQJXYEOVRIICSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-9-10(2)19-20(14(9)11-6-7-11)12-4-3-5-13(8-12)21-15(16,17)18/h3-5,8,11H,6-7H2,1-2H3.
What are the key properties of 5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole?
5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole has a molecular weight of 296.29 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 143749362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).