2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole

C17H19F5N2O — CID 139397532

IUPAC2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole
SMILESCC1C=C(c2cccc(OC(F)(F)F)c2)N(C2CCC(F)(F)CC2)N1
InChIInChI=1S/C17H19F5N2O/c1-11-9-15(12-3-2-4-14(10-12)25-17(20,21)22)24(23-11)13-5-7-16(18,19)8-6-13/h2-4,9-11,13,23H,5-8H2,1H3
InChIKeyFFIHIOGMGRTJAV-UHFFFAOYSA-N
MW362.34 g/mol
LogP4.71
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole

2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole (PubChem CID 139397532) has the molecular formula C17H19F5N2O and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole
PubChem CID139397532
Molecular FormulaC17H19F5N2O
Molecular Weight362.34 g/mol
Exact Mass362.14
IUPAC Name2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole
SMILESCC1C=C(c2cccc(OC(F)(F)F)c2)N(C2CCC(F)(F)CC2)N1
InChIInChI=1S/C17H19F5N2O/c1-11-9-15(12-3-2-4-14(10-12)25-17(20,21)22)24(23-11)13-5-7-16(18,19)8-6-13/h2-4,9-11,13,23H,5-8H2,1H3
InChIKeyFFIHIOGMGRTJAV-UHFFFAOYSA-N
XLogP4.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
(2R,5R)-7-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 90017031
5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol
CID 65176983
3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane
CID 66882043
1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride
CID 167713453
4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 63407060
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine
CID 70933957
7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one
CID 169422666
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 139942776
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole (CID 139397532) is 2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole is CC1C=C(c2cccc(OC(F)(F)F)c2)N(C2CCC(F)(F)CC2)N1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole?
The InChIKey is FFIHIOGMGRTJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F5N2O/c1-11-9-15(12-3-2-4-14(10-12)25-17(20,21)22)24(23-11)13-5-7-16(18,19)8-6-13/h2-4,9-11,13,23H,5-8H2,1H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole?
2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole has a molecular weight of 362.34 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,5-dihydropyrazole is sourced from PubChem (CID 139397532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).