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

C13H15ClN2O — CID 62488143

IUPAC[2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol
SMILESCC(C)c1ccn(-c2cccc(Cl)c2CO)n1
InChIInChI=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
InChIKeyOLBXBCAEGTVJNX-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.14
Rot. Bonds3

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 CID62488143
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name[2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol
SMILESCC(C)c1ccn(-c2cccc(Cl)c2CO)n1
InChIInChI=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
InChIKeyOLBXBCAEGTVJNX-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).