(R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol

C13H14Cl2N2O2 — CID 95559607

IUPAC(R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol
SMILESCOc1cccc([C@@H](O)c2c(C)nn(C)c2Cl)c1Cl
InChIInChI=1S/C13H14Cl2N2O2/c1-7-10(13(15)17(2)16-7)12(18)8-5-4-6-9(19-3)11(8)14/h4-6,12,18H,1-3H3/t12-/m1/s1
InChIKeyRRRNMKPIKFYWJQ-GFCCVEGCSA-N
MW301.17 g/mol
LogP3.13
Rot. Bonds3

About (R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol

(R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol (PubChem CID 95559607) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is (R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol
PubChem CID95559607
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name(R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol
SMILESCOc1cccc([C@@H](O)c2c(C)nn(C)c2Cl)c1Cl
InChIInChI=1S/C13H14Cl2N2O2/c1-7-10(13(15)17(2)16-7)12(18)8-5-4-6-9(19-3)11(8)14/h4-6,12,18H,1-3H3/t12-/m1/s1
InChIKeyRRRNMKPIKFYWJQ-GFCCVEGCSA-N
XLogP3.13
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105121006
(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82792485
1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 107469558
(1S)-1-(2-chloro-3-methoxyphenyl)ethanol
CID 124638298
(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838575
(2-chloro-3-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106682622
(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751736
(2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105095910
(S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol
CID 129395416
(S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol
CID 129394991
2-(2-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105081597
(2-chloro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 104817103

Frequently Asked Questions

What is the IUPAC name of (R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol?
The IUPAC name of (R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol (CID 95559607) is (R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol.
What is the SMILES notation for (R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol?
The canonical SMILES for (R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol is COc1cccc([C@@H](O)c2c(C)nn(C)c2Cl)c1Cl.
What is the InChIKey of (R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol?
The InChIKey is RRRNMKPIKFYWJQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-7-10(13(15)17(2)16-7)12(18)8-5-4-6-9(19-3)11(8)14/h4-6,12,18H,1-3H3/t12-/m1/s1.
What are the key properties of (R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol?
(R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol has a molecular weight of 301.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol is sourced from PubChem (CID 95559607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).