2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol

C15H15N3O — CID 55162724

IUPAC2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol
SMILESCn1cc(CC(O)c2ccc3ccccc3n2)cn1
InChIInChI=1S/C15H15N3O/c1-18-10-11(9-16-18)8-15(19)14-7-6-12-4-2-3-5-13(12)17-14/h2-7,9-10,15,19H,8H2,1H3
InChIKeyMLYNMOSWCOTFPL-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.24
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol

2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol (PubChem CID 55162724) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol
PubChem CID55162724
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol
SMILESCn1cc(CC(O)c2ccc3ccccc3n2)cn1
InChIInChI=1S/C15H15N3O/c1-18-10-11(9-16-18)8-15(19)14-7-6-12-4-2-3-5-13(12)17-14/h2-7,9-10,15,19H,8H2,1H3
InChIKeyMLYNMOSWCOTFPL-UHFFFAOYSA-N
XLogP2.24
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-yl)-1-quinolin-2-ylethanol
CID 83172429
1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 63895824
amino(quinolin-2-yl)methanol
CID 154237779
N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine
CID 114755156
2-(1-methylpyrazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115780286
3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
CID 66057746
1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780396
1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 107947322
1-(4-chloro-2,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780481
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 81304810
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253
1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780374

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol (CID 55162724) is 2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol is Cn1cc(CC(O)c2ccc3ccccc3n2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol?
The InChIKey is MLYNMOSWCOTFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18-10-11(9-16-18)8-15(19)14-7-6-12-4-2-3-5-13(12)17-14/h2-7,9-10,15,19H,8H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol?
2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol has a molecular weight of 253.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol is sourced from PubChem (CID 55162724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).