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

C12H12Cl2N2O — CID 106859553

IUPAC(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
SMILESCc1ccc(C(O)c2c(Cl)cnn2C)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O/c1-7-3-4-8(9(13)5-7)12(17)11-10(14)6-15-16(11)2/h3-6,12,17H,1-2H3
InChIKeyLIHSJQSOYCEFGH-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.12
Rot. Bonds2

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

(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol (PubChem CID 106859553) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
PubChem CID106859553
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
SMILESCc1ccc(C(O)c2c(Cl)cnn2C)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O/c1-7-3-4-8(9(13)5-7)12(17)11-10(14)6-15-16(11)2/h3-6,12,17H,1-2H3
InChIKeyLIHSJQSOYCEFGH-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-methylphenyl)methanol
CID 106859518
(4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol
CID 114635377
(4-chloro-1-methylpyrazol-5-yl)-(4-methyl-2-pyridinyl)methanol
CID 114643644
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969920
(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 115836734
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-dimethylphenyl)methanol
CID 114634928
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol
CID 114643322
(2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 106859558
(2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 106859629
(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 114644848
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115839156

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The IUPAC name of (2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol (CID 106859553) is (2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for (2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol is Cc1ccc(C(O)c2c(Cl)cnn2C)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The InChIKey is LIHSJQSOYCEFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-7-3-4-8(9(13)5-7)12(17)11-10(14)6-15-16(11)2/h3-6,12,17H,1-2H3.
What are the key properties of (2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol has a molecular weight of 271.15 g/mol, XLogP of 3.12, 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)-(4-chloro-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 106859553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).