2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol

C17H18N4O — CID 169092645

IUPAC2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol
SMILESOCCC1CC(n2cc(-c3cnc4ccccc4n3)cn2)C1
InChIInChI=1S/C17H18N4O/c22-6-5-12-7-14(8-12)21-11-13(9-19-21)17-10-18-15-3-1-2-4-16(15)20-17/h1-4,9-12,14,22H,5-8H2
InChIKeyATRGFXHHLCQJAE-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.83
Rot. Bonds4

About 2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol

2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol (PubChem CID 169092645) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol.

Molecular Properties

Compound Name2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol
PubChem CID169092645
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol
SMILESOCCC1CC(n2cc(-c3cnc4ccccc4n3)cn2)C1
InChIInChI=1S/C17H18N4O/c22-6-5-12-7-14(8-12)21-11-13(9-19-21)17-10-18-15-3-1-2-4-16(15)20-17/h1-4,9-12,14,22H,5-8H2
InChIKeyATRGFXHHLCQJAE-UHFFFAOYSA-N
XLogP2.83
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline
CID 169092637
2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline
CID 170778013
2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline
CID 170778330
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine
CID 170778255
[3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone
CID 170778313
tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate
CID 169092427
[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate
CID 175468049
5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide
CID 175951072
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]aniline
CID 166992967
[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine
CID 166993892
tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane
CID 169092397
3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine
CID 170778324

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol?
The IUPAC name of 2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol (CID 169092645) is 2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol.
What is the SMILES notation for 2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol?
The canonical SMILES for 2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol is OCCC1CC(n2cc(-c3cnc4ccccc4n3)cn2)C1.
What is the InChIKey of 2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol?
The InChIKey is ATRGFXHHLCQJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-6-5-12-7-14(8-12)21-11-13(9-19-21)17-10-18-15-3-1-2-4-16(15)20-17/h1-4,9-12,14,22H,5-8H2.
What are the key properties of 2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol?
2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol has a molecular weight of 294.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol is sourced from PubChem (CID 169092645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).