[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol

C17H19N3O — CID 61237231

IUPAC[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol
SMILESCCc1c(C)nn(-c2nc3ccccc3cc2CO)c1C
InChIInChI=1S/C17H19N3O/c1-4-15-11(2)19-20(12(15)3)17-14(10-21)9-13-7-5-6-8-16(13)18-17/h5-9,21H,4,10H2,1-3H3
InChIKeyLUJXHNAZUYDQSQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.09
Rot. Bonds3

About [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol

[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol (PubChem CID 61237231) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol
PubChem CID61237231
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol
SMILESCCc1c(C)nn(-c2nc3ccccc3cc2CO)c1C
InChIInChI=1S/C17H19N3O/c1-4-15-11(2)19-20(12(15)3)17-14(10-21)9-13-7-5-6-8-16(13)18-17/h5-9,21H,4,10H2,1-3H3
InChIKeyLUJXHNAZUYDQSQ-UHFFFAOYSA-N
XLogP3.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol?
The IUPAC name of [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol (CID 61237231) is [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol.
What is the SMILES notation for [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol?
The canonical SMILES for [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol is CCc1c(C)nn(-c2nc3ccccc3cc2CO)c1C.
What is the InChIKey of [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol?
The InChIKey is LUJXHNAZUYDQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-15-11(2)19-20(12(15)3)17-14(10-21)9-13-7-5-6-8-16(13)18-17/h5-9,21H,4,10H2,1-3H3.
What are the key properties of [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol?
[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol has a molecular weight of 281.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]methanol is sourced from PubChem (CID 61237231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).