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

C14H19N3O — CID 82730481

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol
SMILESCCc1cccnc1C(O)Cc1cc(C)nn1C
InChIInChI=1S/C14H19N3O/c1-4-11-6-5-7-15-14(11)13(18)9-12-8-10(2)16-17(12)3/h5-8,13,18H,4,9H2,1-3H3
InChIKeyYYQMJTKASHUWNW-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.96
Rot. Bonds4

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

2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol (PubChem CID 82730481) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol
PubChem CID82730481
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol
SMILESCCc1cccnc1C(O)Cc1cc(C)nn1C
InChIInChI=1S/C14H19N3O/c1-4-11-6-5-7-15-14(11)13(18)9-12-8-10(2)16-17(12)3/h5-8,13,18H,4,9H2,1-3H3
InChIKeyYYQMJTKASHUWNW-UHFFFAOYSA-N
XLogP1.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol (CID 82730481) is 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol is CCc1cccnc1C(O)Cc1cc(C)nn1C.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol?
The InChIKey is YYQMJTKASHUWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-11-6-5-7-15-14(11)13(18)9-12-8-10(2)16-17(12)3/h5-8,13,18H,4,9H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol?
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol has a molecular weight of 245.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 82730481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).