1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane

C12H20F2N2 — CID 145201190

IUPAC1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane
SMILESCC.Cc1cnn(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C10H14F2N2.C2H6/c1-8-6-13-14(7-8)9-2-4-10(11,12)5-3-9;1-2/h6-7,9H,2-5H2,1H3;1-2H3
InChIKeyZSFOPEUVPMYICT-UHFFFAOYSA-N
MW230.30 g/mol
LogP3.97
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane

1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane (PubChem CID 145201190) has the molecular formula C12H20F2N2 and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane
PubChem CID145201190
Molecular FormulaC12H20F2N2
Molecular Weight230.30 g/mol
Exact Mass230.16
IUPAC Name1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane
SMILESCC.Cc1cnn(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C10H14F2N2.C2H6/c1-8-6-13-14(7-8)9-2-4-10(11,12)5-3-9;1-2/h6-7,9H,2-5H2,1H3;1-2H3
InChIKeyZSFOPEUVPMYICT-UHFFFAOYSA-N
XLogP3.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane (CID 145201190) is 1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane is CC.Cc1cnn(C2CCC(F)(F)CC2)c1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane?
The InChIKey is ZSFOPEUVPMYICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2.C2H6/c1-8-6-13-14(7-8)9-2-4-10(11,12)5-3-9;1-2/h6-7,9H,2-5H2,1H3;1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane?
1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane has a molecular weight of 230.30 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-4-methylpyrazole;ethane is sourced from PubChem (CID 145201190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).