3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol

C14H15ClN2O2 — CID 117232886

IUPAC3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol
SMILESOc1cccc(-n2ncc(OC3CCCC3)c2Cl)c1
InChIInChI=1S/C14H15ClN2O2/c15-14-13(19-12-6-1-2-7-12)9-16-17(14)10-4-3-5-11(18)8-10/h3-5,8-9,12,18H,1-2,6-7H2
InChIKeyBAFQMAOGLULOPQ-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.55
Rot. Bonds3

About 3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol

3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol (PubChem CID 117232886) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol.

Molecular Properties

Compound Name3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol
PubChem CID117232886
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol
SMILESOc1cccc(-n2ncc(OC3CCCC3)c2Cl)c1
InChIInChI=1S/C14H15ClN2O2/c15-14-13(19-12-6-1-2-7-12)9-16-17(14)10-4-3-5-11(18)8-10/h3-5,8-9,12,18H,1-2,6-7H2
InChIKeyBAFQMAOGLULOPQ-UHFFFAOYSA-N
XLogP3.55
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-4-cyclohexyloxypyrazol-1-yl)phenol
CID 117232892
5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole
CID 117232891
5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole
CID 117232974
4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid
CID 117232936
4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
CID 117232690
4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 117232941
2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
CID 117232626
1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone
CID 115041852
5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole
CID 117232551
1-tert-butyl-5-chloro-4-cyclopentyloxypyrazole
CID 117232843
1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid
CID 117232476
5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 145469507

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol?
The IUPAC name of 3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol (CID 117232886) is 3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol.
What is the SMILES notation for 3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol?
The canonical SMILES for 3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol is Oc1cccc(-n2ncc(OC3CCCC3)c2Cl)c1.
What is the InChIKey of 3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol?
The InChIKey is BAFQMAOGLULOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-14-13(19-12-6-1-2-7-12)9-16-17(14)10-4-3-5-11(18)8-10/h3-5,8-9,12,18H,1-2,6-7H2.
What are the key properties of 3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol?
3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol has a molecular weight of 278.74 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol is sourced from PubChem (CID 117232886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).