1-(4,4-difluorocyclohexyl)-5-methylpyrazole

C10H14F2N2 — CID 84733747

IUPAC1-(4,4-difluorocyclohexyl)-5-methylpyrazole
SMILESCc1ccnn1C1CCC(F)(F)CC1
InChIInChI=1S/C10H14F2N2/c1-8-4-7-13-14(8)9-2-5-10(11,12)6-3-9/h4,7,9H,2-3,5-6H2,1H3
InChIKeyNTOKUUARAILJEP-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.94
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)-5-methylpyrazole

1-(4,4-difluorocyclohexyl)-5-methylpyrazole (PubChem CID 84733747) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-5-methylpyrazole.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-5-methylpyrazole
PubChem CID84733747
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-(4,4-difluorocyclohexyl)-5-methylpyrazole
SMILESCc1ccnn1C1CCC(F)(F)CC1
InChIInChI=1S/C10H14F2N2/c1-8-4-7-13-14(8)9-2-5-10(11,12)6-3-9/h4,7,9H,2-3,5-6H2,1H3
InChIKeyNTOKUUARAILJEP-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.94
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)-5-methylpyrazole?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-5-methylpyrazole (CID 84733747) is 1-(4,4-difluorocyclohexyl)-5-methylpyrazole.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-5-methylpyrazole?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-5-methylpyrazole is Cc1ccnn1C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-5-methylpyrazole?
The InChIKey is NTOKUUARAILJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-8-4-7-13-14(8)9-2-5-10(11,12)6-3-9/h4,7,9H,2-3,5-6H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-5-methylpyrazole?
1-(4,4-difluorocyclohexyl)-5-methylpyrazole has a molecular weight of 200.23 g/mol, XLogP of 2.94, 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)-5-methylpyrazole is sourced from PubChem (CID 84733747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).