[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol

C12H18F2N2O — CID 66438121

IUPAC[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(C2CCCCCC2)c1C(F)F
InChIInChI=1S/C12H18F2N2O/c13-12(14)11-9(8-17)7-15-16(11)10-5-3-1-2-4-6-10/h7,10,12,17H,1-6,8H2
InChIKeyQVFCJSVMIOAFSR-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.21
Rot. Bonds3

About [1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol

[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol (PubChem CID 66438121) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is [1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol
PubChem CID66438121
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(C2CCCCCC2)c1C(F)F
InChIInChI=1S/C12H18F2N2O/c13-12(14)11-9(8-17)7-15-16(11)10-5-3-1-2-4-6-10/h7,10,12,17H,1-6,8H2
InChIKeyQVFCJSVMIOAFSR-UHFFFAOYSA-N
XLogP3.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol (CID 66438121) is [1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol is OCc1cnn(C2CCCCCC2)c1C(F)F.
What is the InChIKey of [1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is QVFCJSVMIOAFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c13-12(14)11-9(8-17)7-15-16(11)10-5-3-1-2-4-6-10/h7,10,12,17H,1-6,8H2.
What are the key properties of [1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol?
[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 244.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 66438121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).