1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole

C12H14F2N2 — CID 145091909

IUPAC1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole
SMILESCC1=CC=C(c2cnn(C(F)F)c2)C(C)C1
InChIInChI=1S/C12H14F2N2/c1-8-3-4-11(9(2)5-8)10-6-15-16(7-10)12(13)14/h3-4,6-7,9,12H,5H2,1-2H3
InChIKeyIBGLGLDBNHBMOG-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.65
Rot. Bonds2

About 1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole

1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole (PubChem CID 145091909) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole
PubChem CID145091909
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole
SMILESCC1=CC=C(c2cnn(C(F)F)c2)C(C)C1
InChIInChI=1S/C12H14F2N2/c1-8-3-4-11(9(2)5-8)10-6-15-16(7-10)12(13)14/h3-4,6-7,9,12H,5H2,1-2H3
InChIKeyIBGLGLDBNHBMOG-UHFFFAOYSA-N
XLogP3.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-Difluorophenyl)-1-methyl-1H-pyrazole
CID 4667930
4-(4-Fluorophenyl)-1-methyl-1H-pyrazole
CID 12946648
4-[3,5-Bis(trifluoromethyl)phenyl]-1-methylpyrazole
CID 57538953
4-(2-Fluorophenyl)-1-methyl-1H-pyrazole
CID 79001775
1-Benzyl-4-(trifluoromethyl)pyrazole
CID 91079780
4-Benzyl-1-(trifluoromethyl)pyrazole
CID 60153216
1-benzyl-4-(difluoromethyl)-1H-pyrazole
CID 124201599
4-(5-Fluoro-2-propan-2-ylphenyl)-1-methylpyrazole
CID 57867754
4-(3-Fluorophenyl)-1-methylpyrazole
CID 58166126
1-(2-Methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole
CID 58981710
1-[(2,4-Difluorophenyl)methyl]-4-propylpyrazole
CID 70850602
1-Ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole
CID 70990238

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole?
The IUPAC name of 1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole (CID 145091909) is 1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole is CC1=CC=C(c2cnn(C(F)F)c2)C(C)C1.
What is the InChIKey of 1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole?
The InChIKey is IBGLGLDBNHBMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c1-8-3-4-11(9(2)5-8)10-6-15-16(7-10)12(13)14/h3-4,6-7,9,12H,5H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole?
1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole has a molecular weight of 224.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrazole is sourced from PubChem (CID 145091909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).