[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol

C16H17N3O — CID 66509490

IUPAC[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol
SMILESCCn1cc(-c2cc(CO)c3ccccc3n2)c(C)n1
InChIInChI=1S/C16H17N3O/c1-3-19-9-14(11(2)18-19)16-8-12(10-20)13-6-4-5-7-15(13)17-16/h4-9,20H,3,10H2,1-2H3
InChIKeyGRQSICKIIYSSBV-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.92
Rot. Bonds3

About [2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol

[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol (PubChem CID 66509490) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol
PubChem CID66509490
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol
SMILESCCn1cc(-c2cc(CO)c3ccccc3n2)c(C)n1
InChIInChI=1S/C16H17N3O/c1-3-19-9-14(11(2)18-19)16-8-12(10-20)13-6-4-5-7-15(13)17-16/h4-9,20H,3,10H2,1-2H3
InChIKeyGRQSICKIIYSSBV-UHFFFAOYSA-N
XLogP2.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol?
The IUPAC name of [2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol (CID 66509490) is [2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol.
What is the SMILES notation for [2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol?
The canonical SMILES for [2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol is CCn1cc(-c2cc(CO)c3ccccc3n2)c(C)n1.
What is the InChIKey of [2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol?
The InChIKey is GRQSICKIIYSSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-19-9-14(11(2)18-19)16-8-12(10-20)13-6-4-5-7-15(13)17-16/h4-9,20H,3,10H2,1-2H3.
What are the key properties of [2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol?
[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol has a molecular weight of 267.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol is sourced from PubChem (CID 66509490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).