[1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol

C12H13ClN2O — CID 84614934

IUPAC[1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol
SMILESCc1ccc(Cl)cc1-n1cc(CO)c(C)n1
InChIInChI=1S/C12H13ClN2O/c1-8-3-4-11(13)5-12(8)15-6-10(7-16)9(2)14-15/h3-6,16H,7H2,1-2H3
InChIKeyIFZYQZSTUYGWMM-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.63
Rot. Bonds2

About [1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol

[1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol (PubChem CID 84614934) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is [1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol
PubChem CID84614934
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name[1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol
SMILESCc1ccc(Cl)cc1-n1cc(CO)c(C)n1
InChIInChI=1S/C12H13ClN2O/c1-8-3-4-11(13)5-12(8)15-6-10(7-16)9(2)14-15/h3-6,16H,7H2,1-2H3
InChIKeyIFZYQZSTUYGWMM-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol
CID 116818796
1-(5-chloro-2-methylphenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
CID 63952441
[3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
CID 3708231
1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 84617873
2-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]acetonitrile
CID 116817820
2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole
CID 142810831
1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde
CID 82389129
1-(5-chloro-2-methylphenyl)tetrazole
CID 11586443
2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol
CID 116817752
2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol
CID 116817765
[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol
CID 84617796
methyl 1-(5-chloro-2-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 63952442

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol?
The IUPAC name of [1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol (CID 84614934) is [1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol is Cc1ccc(Cl)cc1-n1cc(CO)c(C)n1.
What is the InChIKey of [1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol?
The InChIKey is IFZYQZSTUYGWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8-3-4-11(13)5-12(8)15-6-10(7-16)9(2)14-15/h3-6,16H,7H2,1-2H3.
What are the key properties of [1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol?
[1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol has a molecular weight of 236.70 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 84614934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).