5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole

C16H18ClFN2O — CID 117232551

IUPAC5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole
SMILESFc1cccc(Cn2ncc(OC3CCCCC3)c2Cl)c1
InChIInChI=1S/C16H18ClFN2O/c17-16-15(21-14-7-2-1-3-8-14)10-19-20(16)11-12-5-4-6-13(18)9-12/h4-6,9-10,14H,1-3,7-8,11H2
InChIKeyFOYUKDWKOMWNSE-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.44
Rot. Bonds4

About 5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole

5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole (PubChem CID 117232551) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole
PubChem CID117232551
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole
SMILESFc1cccc(Cn2ncc(OC3CCCCC3)c2Cl)c1
InChIInChI=1S/C16H18ClFN2O/c17-16-15(21-14-7-2-1-3-8-14)10-19-20(16)11-12-5-4-6-13(18)9-12/h4-6,9-10,14H,1-3,7-8,11H2
InChIKeyFOYUKDWKOMWNSE-UHFFFAOYSA-N
XLogP4.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole?
The IUPAC name of 5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole (CID 117232551) is 5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole is Fc1cccc(Cn2ncc(OC3CCCCC3)c2Cl)c1.
What is the InChIKey of 5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole?
The InChIKey is FOYUKDWKOMWNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c17-16-15(21-14-7-2-1-3-8-14)10-19-20(16)11-12-5-4-6-13(18)9-12/h4-6,9-10,14H,1-3,7-8,11H2.
What are the key properties of 5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole?
5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole has a molecular weight of 308.78 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 117232551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).