1-cyclohexyl-3-(difluoromethyl)pyrazole

C10H14F2N2 — CID 66014336

IUPAC1-cyclohexyl-3-(difluoromethyl)pyrazole
SMILESFC(F)c1ccn(C2CCCCC2)n1
InChIInChI=1S/C10H14F2N2/c11-10(12)9-6-7-14(13-9)8-4-2-1-3-5-8/h6-8,10H,1-5H2
InChIKeyRAQMKYVUVFTWCF-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.33
Rot. Bonds2

About 1-cyclohexyl-3-(difluoromethyl)pyrazole

1-cyclohexyl-3-(difluoromethyl)pyrazole (PubChem CID 66014336) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-cyclohexyl-3-(difluoromethyl)pyrazole.

Molecular Properties

Compound Name1-cyclohexyl-3-(difluoromethyl)pyrazole
PubChem CID66014336
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-cyclohexyl-3-(difluoromethyl)pyrazole
SMILESFC(F)c1ccn(C2CCCCC2)n1
InChIInChI=1S/C10H14F2N2/c11-10(12)9-6-7-14(13-9)8-4-2-1-3-5-8/h6-8,10H,1-5H2
InChIKeyRAQMKYVUVFTWCF-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(difluoromethyl)pyrazole?
The IUPAC name of 1-cyclohexyl-3-(difluoromethyl)pyrazole (CID 66014336) is 1-cyclohexyl-3-(difluoromethyl)pyrazole.
What is the SMILES notation for 1-cyclohexyl-3-(difluoromethyl)pyrazole?
The canonical SMILES for 1-cyclohexyl-3-(difluoromethyl)pyrazole is FC(F)c1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-(difluoromethyl)pyrazole?
The InChIKey is RAQMKYVUVFTWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-10(12)9-6-7-14(13-9)8-4-2-1-3-5-8/h6-8,10H,1-5H2.
What are the key properties of 1-cyclohexyl-3-(difluoromethyl)pyrazole?
1-cyclohexyl-3-(difluoromethyl)pyrazole has a molecular weight of 200.23 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(difluoromethyl)pyrazole is sourced from PubChem (CID 66014336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).