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

C12H13ClN2O — CID 103138629

IUPAC(3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
SMILESCc1ccc(C(O)c2ccn(C)n2)cc1Cl
InChIInChI=1S/C12H13ClN2O/c1-8-3-4-9(7-10(8)13)12(16)11-5-6-15(2)14-11/h3-7,12,16H,1-2H3
InChIKeyOIYVZRDTENROCO-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.46
Rot. Bonds2

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

(3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol (PubChem CID 103138629) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
PubChem CID103138629
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name(3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
SMILESCc1ccc(C(O)c2ccn(C)n2)cc1Cl
InChIInChI=1S/C12H13ClN2O/c1-8-3-4-9(7-10(8)13)12(16)11-5-6-15(2)14-11/h3-7,12,16H,1-2H3
InChIKeyOIYVZRDTENROCO-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-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 103130254
(2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 106859629
(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methanol
CID 107562168
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanol
CID 63195009
(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 107103544
(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol
CID 103130128
(2-tert-butyl-1,3-thiazol-4-yl)-(3-chloro-4-methylphenyl)methanol
CID 107559682
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
(3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 65296780
N-[1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105025227
(3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol
CID 107560175
(1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 103138624

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of (3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol (CID 103138629) is (3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol is Cc1ccc(C(O)c2ccn(C)n2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol?
The InChIKey is OIYVZRDTENROCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8-3-4-9(7-10(8)13)12(16)11-5-6-15(2)14-11/h3-7,12,16H,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol?
(3-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 (3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 103138629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).