1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole

C11H14F2N2 — CID 158828485

IUPAC1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole
SMILESCC1CC=C(c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C11H14F2N2/c1-8-2-4-9(5-3-8)10-6-14-15(7-10)11(12)13/h4,6-8,11H,2-3,5H2,1H3
InChIKeyKVJADNAHZWRUNU-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.48
Rot. Bonds2

About 1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole

1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole (PubChem CID 158828485) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole
PubChem CID158828485
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole
SMILESCC1CC=C(c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C11H14F2N2/c1-8-2-4-9(5-3-8)10-6-14-15(7-10)11(12)13/h4,6-8,11H,2-3,5H2,1H3
InChIKeyKVJADNAHZWRUNU-UHFFFAOYSA-N
XLogP3.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole?
The IUPAC name of 1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole (CID 158828485) is 1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole is CC1CC=C(c2cnn(C(F)F)c2)CC1.
What is the InChIKey of 1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole?
The InChIKey is KVJADNAHZWRUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c1-8-2-4-9(5-3-8)10-6-14-15(7-10)11(12)13/h4,6-8,11H,2-3,5H2,1H3.
What are the key properties of 1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole?
1-(difluoromethyl)-4-(4-methylcyclohexen-1-yl)pyrazole has a molecular weight of 212.24 g/mol, XLogP of 3.48, 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-methylcyclohexen-1-yl)pyrazole is sourced from PubChem (CID 158828485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).