4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol

C10H14F2N2O — CID 169120459

IUPAC4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2ccc(C(F)F)n2)CC1
InChIInChI=1S/C10H14F2N2O/c11-10(12)9-5-6-14(13-9)7-1-3-8(15)4-2-7/h5-8,10,15H,1-4H2
InChIKeyRHZAALZOVQVBHR-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.30
Rot. Bonds2

About 4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol

4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 169120459) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
PubChem CID169120459
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2ccc(C(F)F)n2)CC1
InChIInChI=1S/C10H14F2N2O/c11-10(12)9-5-6-14(13-9)7-1-3-8(15)4-2-7/h5-8,10,15H,1-4H2
InChIKeyRHZAALZOVQVBHR-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol (CID 169120459) is 4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol is OC1CCC(n2ccc(C(F)F)n2)CC1.
What is the InChIKey of 4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is RHZAALZOVQVBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c11-10(12)9-5-6-14(13-9)7-1-3-8(15)4-2-7/h5-8,10,15H,1-4H2.
What are the key properties of 4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 216.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 169120459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).