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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Related Compounds

4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
CID 117232690
2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
CID 117232626
2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine
CID 117233230
2-[5-chloro-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]acetic acid
CID 115068562
5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole
CID 117232891
5-chloro-4-cyclopentyloxy-1-(2-methoxyethyl)pyrazole
CID 117231738
3-(5-chloro-4-cyclohexyloxypyrazol-1-yl)phenol
CID 117232892
5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole
CID 117231920
1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine
CID 117233181
3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol
CID 117232886
5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole
CID 117232356
4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid
CID 117232936

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).