[2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol

C₁₃H₁₅ClN₂O — CID 62488143

About [2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol

[2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol (PubChem CID 62488143) has the molecular formula C₁₃H₁₅ClN₂O and a molecular weight of 250.73 g/mol. Its IUPAC name is [2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol.

Molecular Properties

• Compound Name: [2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol
• PubChem CID: 62488143
• Molecular Formula: C₁₃H₁₅ClN₂O
• Molecular Weight: 250.73 g/mol
• Exact Mass: 250.09
• IUPAC Name: [2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol
• SMILES: CC(C)c1ccn(-c2cccc(Cl)c2CO)n1
• InChI: InChI=1S/C13H15ClN2O/c1-9(2)12-6-7-16(15-12)13-5-3-4-11(14)10(13)8-17/h3-7,9,17H,8H2,1-2H3
• InChIKey: OLBXBCAEGTVJNX-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.73
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol?

The IUPAC name of [2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol (CID 62488143) is [2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol.

What is the SMILES notation for [2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol?

The canonical SMILES for [2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol is CC(C)c1ccn(-c2cccc(Cl)c2CO)n1.

What is the InChIKey of [2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol?

The InChIKey is OLBXBCAEGTVJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9(2)12-6-7-16(15-12)13-5-3-4-11(14)10(13)8-17/h3-7,9,17H,8H2,1-2H3.

What are the key properties of [2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol?

[2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol has a molecular weight of 250.73 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol is sourced from PubChem (CID 62488143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62488143 — identifiers, structure, computed properties (public domain)

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