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

C12H13ClN2O — CID 107103544

IUPAC(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol
SMILESCc1c(Cl)cccc1C(O)c1ccn(C)n1
InChIInChI=1S/C12H13ClN2O/c1-8-9(4-3-5-10(8)13)12(16)11-6-7-15(2)14-11/h3-7,12,16H,1-2H3
InChIKeyNOOSDLYXFZXXMM-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.46
Rot. Bonds2

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

(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol (PubChem CID 107103544) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol
PubChem CID107103544
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol
SMILESCc1c(Cl)cccc1C(O)c1ccn(C)n1
InChIInChI=1S/C12H13ClN2O/c1-8-9(4-3-5-10(8)13)12(16)11-6-7-15(2)14-11/h3-7,12,16H,1-2H3
InChIKeyNOOSDLYXFZXXMM-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)methyl]hydrazine
CID 107103871
(2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 106859629
(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 65195591
(3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 103138629
1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200322
(3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 103130254
[2-(2-methoxyethoxy)phenyl]-(1-methylpyrazol-3-yl)methanol
CID 104659584
[(2-chloro-3-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140793
3-chloro-1-(3-chloro-2-methylphenyl)propane-1,2-diol
CID 171861580
(1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 103138624
(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107098838
(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol
CID 107103539

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of (3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol (CID 107103544) is (3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol is Cc1c(Cl)cccc1C(O)c1ccn(C)n1.
What is the InChIKey of (3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol?
The InChIKey is NOOSDLYXFZXXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8-9(4-3-5-10(8)13)12(16)11-6-7-15(2)14-11/h3-7,12,16H,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol?
(3-chloro-2-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 (3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 107103544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).