2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol

C12H15ClN4O2 — CID 103373472

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2c(Cl)c(C)nn2C)nn1
InChIInChI=1S/C12H15ClN4O2/c1-7-12(13)9(17(2)16-7)6-10(18)8-4-5-11(19-3)15-14-8/h4-5,10,18H,6H2,1-3H3
InChIKeyBSKQEAZKCWHWCH-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.46
Rot. Bonds4

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol (PubChem CID 103373472) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol
PubChem CID103373472
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2c(Cl)c(C)nn2C)nn1
InChIInChI=1S/C12H15ClN4O2/c1-7-12(13)9(17(2)16-7)6-10(18)8-4-5-11(19-3)15-14-8/h4-5,10,18H,6H2,1-3H3
InChIKeyBSKQEAZKCWHWCH-UHFFFAOYSA-N
XLogP1.46
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373604
2-(2,6-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373585
2-(2,3-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 107308299
1-(6-methoxypyridazin-3-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 103373713
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216893
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103348112
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105106613
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114852945
1-(6-methoxypyridazin-3-yl)-2-(1-methylindazol-3-yl)ethanol
CID 103373474
1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol
CID 113398314
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103348004
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-amine
CID 79196955

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol (CID 103373472) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol is COc1ccc(C(O)Cc2c(Cl)c(C)nn2C)nn1.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
The InChIKey is BSKQEAZKCWHWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-7-12(13)9(17(2)16-7)6-10(18)8-4-5-11(19-3)15-14-8/h4-5,10,18H,6H2,1-3H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol has a molecular weight of 282.73 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol is sourced from PubChem (CID 103373472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).