2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline

C19H18N4 — CID 169092637

IUPAC2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline
SMILESC#CCCC1CC(n2cc(-c3cnc4ccccc4n3)cn2)C1
InChIInChI=1S/C19H18N4/c1-2-3-6-14-9-16(10-14)23-13-15(11-21-23)19-12-20-17-7-4-5-8-18(17)22-19/h1,4-5,7-8,11-14,16H,3,6,9-10H2
InChIKeyJSBZHHXQRKHQEU-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.86
Rot. Bonds4

About 2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline

2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline (PubChem CID 169092637) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline.

Molecular Properties

Compound Name2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline
PubChem CID169092637
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline
SMILESC#CCCC1CC(n2cc(-c3cnc4ccccc4n3)cn2)C1
InChIInChI=1S/C19H18N4/c1-2-3-6-14-9-16(10-14)23-13-15(11-21-23)19-12-20-17-7-4-5-8-18(17)22-19/h1,4-5,7-8,11-14,16H,3,6,9-10H2
InChIKeyJSBZHHXQRKHQEU-UHFFFAOYSA-N
XLogP3.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol
CID 169092645
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
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]aniline
CID 166992967
5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide
CID 175951072
[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-[1-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]cyclobutyl]pyrazol-4-yl]quinoxaline-6-carbonitrile
CID 166994151

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline?
The IUPAC name of 2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline (CID 169092637) is 2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline.
What is the SMILES notation for 2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline?
The canonical SMILES for 2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline is C#CCCC1CC(n2cc(-c3cnc4ccccc4n3)cn2)C1.
What is the InChIKey of 2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline?
The InChIKey is JSBZHHXQRKHQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-2-3-6-14-9-16(10-14)23-13-15(11-21-23)19-12-20-17-7-4-5-8-18(17)22-19/h1,4-5,7-8,11-14,16H,3,6,9-10H2.
What are the key properties of 2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline?
2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline has a molecular weight of 302.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline is sourced from PubChem (CID 169092637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).