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

C12H14ClN3O — CID 105105539

IUPAC2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2ccncc2Cl)n(C)n1
InChIInChI=1S/C12H14ClN3O/c1-8-5-11(16(2)15-8)12(17)6-9-3-4-14-7-10(9)13/h3-5,7,12,17H,6H2,1-2H3
InChIKeyCKNTYEPLOPTEHE-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.05
Rot. Bonds3

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

2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol (PubChem CID 105105539) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
PubChem CID105105539
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2ccncc2Cl)n(C)n1
InChIInChI=1S/C12H14ClN3O/c1-8-5-11(16(2)15-8)12(17)6-9-3-4-14-7-10(9)13/h3-5,7,12,17H,6H2,1-2H3
InChIKeyCKNTYEPLOPTEHE-UHFFFAOYSA-N
XLogP2.05
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105105538
2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 103043648
2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 79234085
1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
CID 105077036
2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105086618
1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 81446998
1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol
CID 105122769
1-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)ethanol
CID 105122958
2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79427524
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655781
[2-(3-chloro-4-pyridinyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 102805005
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655806

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol (CID 105105539) is 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol is Cc1cc(C(O)Cc2ccncc2Cl)n(C)n1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The InChIKey is CKNTYEPLOPTEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8-5-11(16(2)15-8)12(17)6-9-3-4-14-7-10(9)13/h3-5,7,12,17H,6H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol has a molecular weight of 251.72 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 105105539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).