4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol

C9H12ClFN2O — CID 156715763

IUPAC4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol
SMILESOC1CCC(n2cc(F)c(Cl)n2)CC1
InChIInChI=1S/C9H12ClFN2O/c10-9-8(11)5-13(12-9)6-1-3-7(14)4-2-6/h5-7,14H,1-4H2
InChIKeyZRELGJCYBAGJAB-UHFFFAOYSA-N
MW218.66 g/mol
LogP2.15
Rot. Bonds1

About 4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol

4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol (PubChem CID 156715763) has the molecular formula C9H12ClFN2O and a molecular weight of 218.66 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol
PubChem CID156715763
Molecular FormulaC9H12ClFN2O
Molecular Weight218.66 g/mol
Exact Mass218.06
IUPAC Name4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol
SMILESOC1CCC(n2cc(F)c(Cl)n2)CC1
InChIInChI=1S/C9H12ClFN2O/c10-9-8(11)5-13(12-9)6-1-3-7(14)4-2-6/h5-7,14H,1-4H2
InChIKeyZRELGJCYBAGJAB-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol (CID 156715763) is 4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol is OC1CCC(n2cc(F)c(Cl)n2)CC1.
What is the InChIKey of 4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is ZRELGJCYBAGJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O/c10-9-8(11)5-13(12-9)6-1-3-7(14)4-2-6/h5-7,14H,1-4H2.
What are the key properties of 4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol?
4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 218.66 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 156715763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).