4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol

C16H19ClN2O2 — CID 117232690

IUPAC4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
SMILESOc1ccc(Cn2ncc(OC3CCCCC3)c2Cl)cc1
InChIInChI=1S/C16H19ClN2O2/c17-16-15(21-14-4-2-1-3-5-14)10-18-19(16)11-12-6-8-13(20)9-7-12/h6-10,14,20H,1-5,11H2
InChIKeyDNGRLKWLKNMLNR-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.00
Rot. Bonds4

About 4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol

4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol (PubChem CID 117232690) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
PubChem CID117232690
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
SMILESOc1ccc(Cn2ncc(OC3CCCCC3)c2Cl)cc1
InChIInChI=1S/C16H19ClN2O2/c17-16-15(21-14-4-2-1-3-5-14)10-18-19(16)11-12-6-8-13(20)9-7-12/h6-10,14,20H,1-5,11H2
InChIKeyDNGRLKWLKNMLNR-UHFFFAOYSA-N
XLogP4.00
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol?
The IUPAC name of 4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol (CID 117232690) is 4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol?
The canonical SMILES for 4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol is Oc1ccc(Cn2ncc(OC3CCCCC3)c2Cl)cc1.
What is the InChIKey of 4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol?
The InChIKey is DNGRLKWLKNMLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-16-15(21-14-4-2-1-3-5-14)10-18-19(16)11-12-6-8-13(20)9-7-12/h6-10,14,20H,1-5,11H2.
What are the key properties of 4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol?
4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol has a molecular weight of 306.79 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol is sourced from PubChem (CID 117232690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).