1-[4-(difluoromethyl)cyclohexyl]pyrazole

C10H14F2N2 — CID 150199718

IUPAC1-[4-(difluoromethyl)cyclohexyl]pyrazole
SMILESFC(F)C1CCC(n2cccn2)CC1
InChIInChI=1S/C10H14F2N2/c11-10(12)8-2-4-9(5-3-8)14-7-1-6-13-14/h1,6-10H,2-5H2
InChIKeyFPFAWIUDHLQOBI-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.88
Rot. Bonds2

About 1-[4-(difluoromethyl)cyclohexyl]pyrazole

1-[4-(difluoromethyl)cyclohexyl]pyrazole (PubChem CID 150199718) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)cyclohexyl]pyrazole.

Molecular Properties

Compound Name1-[4-(difluoromethyl)cyclohexyl]pyrazole
PubChem CID150199718
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-[4-(difluoromethyl)cyclohexyl]pyrazole
SMILESFC(F)C1CCC(n2cccn2)CC1
InChIInChI=1S/C10H14F2N2/c11-10(12)8-2-4-9(5-3-8)14-7-1-6-13-14/h1,6-10H,2-5H2
InChIKeyFPFAWIUDHLQOBI-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)cyclohexyl]pyrazole?
The IUPAC name of 1-[4-(difluoromethyl)cyclohexyl]pyrazole (CID 150199718) is 1-[4-(difluoromethyl)cyclohexyl]pyrazole.
What is the SMILES notation for 1-[4-(difluoromethyl)cyclohexyl]pyrazole?
The canonical SMILES for 1-[4-(difluoromethyl)cyclohexyl]pyrazole is FC(F)C1CCC(n2cccn2)CC1.
What is the InChIKey of 1-[4-(difluoromethyl)cyclohexyl]pyrazole?
The InChIKey is FPFAWIUDHLQOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-10(12)8-2-4-9(5-3-8)14-7-1-6-13-14/h1,6-10H,2-5H2.
What are the key properties of 1-[4-(difluoromethyl)cyclohexyl]pyrazole?
1-[4-(difluoromethyl)cyclohexyl]pyrazole has a molecular weight of 200.23 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)cyclohexyl]pyrazole is sourced from PubChem (CID 150199718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).