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

C12H13ClN2O — CID 106859629

IUPAC(2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
SMILESCc1ccc(C(O)c2ccn(C)n2)c(Cl)c1
InChIInChI=1S/C12H13ClN2O/c1-8-3-4-9(10(13)7-8)12(16)11-5-6-15(2)14-11/h3-7,12,16H,1-2H3
InChIKeyMJBPFDWYCGHSOK-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.46
Rot. Bonds2

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

(2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol (PubChem CID 106859629) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
PubChem CID106859629
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name(2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
SMILESCc1ccc(C(O)c2ccn(C)n2)c(Cl)c1
InChIInChI=1S/C12H13ClN2O/c1-8-3-4-9(10(13)7-8)12(16)11-5-6-15(2)14-11/h3-7,12,16H,1-2H3
InChIKeyMJBPFDWYCGHSOK-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 107103544
(1-methylpyrazol-3-yl)-(5-methyl-2-pyridinyl)methanol
CID 103130257
(3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 103138629
(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 106859553
(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol
CID 106859248
(4-chloro-2,5-dimethylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862759
(3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 103130254
[(2,4-dimethylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228647
1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869812
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533
(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706
(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 65195591

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of (2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol (CID 106859629) is (2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol is Cc1ccc(C(O)c2ccn(C)n2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol?
The InChIKey is MJBPFDWYCGHSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8-3-4-9(10(13)7-8)12(16)11-5-6-15(2)14-11/h3-7,12,16H,1-2H3.
What are the key properties of (2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol?
(2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol has a molecular weight of 236.70 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 106859629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).