2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol

Name: 2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₉ClN₂O₂ — CID 117232626

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol

SMILESOc1ccccc1Cn1ncc(OC2CCCCC2)c1Cl

InChIInChI=1S/C16H19ClN2O2/c17-16-15(21-13-7-2-1-3-8-13)10-18-19(16)11-12-6-4-5-9-14(12)20/h4-6,9-10,13,20H,1-3,7-8,11H2

InChIKeySHUKSIVOTXADKZ-UHFFFAOYSA-N

MW306.79 g/mol

LogP4.00

Rot. Bonds4

About 2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol

2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol (PubChem CID 117232626) has the molecular formula C₁₆H₁₉ClN₂O₂ and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name	2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
PubChem CID	117232626
Molecular Formula	C₁₆H₁₉ClN₂O₂
Molecular Weight	306.79 g/mol
Exact Mass	306.11
IUPAC Name	2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
SMILES	Oc1ccccc1Cn1ncc(OC2CCCCC2)c1Cl
InChI	InChI=1S/C16H19ClN2O2/c17-16-15(21-13-7-2-1-3-8-13)10-18-19(16)11-12-6-4-5-9-14(12)20/h4-6,9-10,13,20H,1-3,7-8,11H2
InChIKey	SHUKSIVOTXADKZ-UHFFFAOYSA-N
XLogP	4.00
TPSA	47.28 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.79
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol?

The IUPAC name of 2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol (CID 117232626) is 2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol.

What is the SMILES notation for 2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol?

The canonical SMILES for 2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol is Oc1ccccc1Cn1ncc(OC2CCCCC2)c1Cl.

What is the InChIKey of 2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol?

The InChIKey is SHUKSIVOTXADKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-16-15(21-13-7-2-1-3-8-13)10-18-19(16)11-12-6-4-5-9-14(12)20/h4-6,9-10,13,20H,1-3,7-8,11H2.

What are the key properties of 2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol?

2-[(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 2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol is sourced from PubChem (CID 117232626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 117232626 — identifiers, structure, computed properties (public domain)

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