2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline

C17H11ClN4 — CID 58247217

IUPAC2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline
SMILESClc1nc2ccccc2nc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C17H11ClN4/c18-16-17(20-15-9-5-4-8-14(15)19-16)22-11-10-13(21-22)12-6-2-1-3-7-12/h1-11H
InChIKeyUGWKMJNUFOXASV-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.14
Rot. Bonds2

About 2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline

2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline (PubChem CID 58247217) has the molecular formula C17H11ClN4 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline.

Molecular Properties

Compound Name2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline
PubChem CID58247217
Molecular FormulaC17H11ClN4
Molecular Weight306.76 g/mol
Exact Mass306.07
IUPAC Name2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline
SMILESClc1nc2ccccc2nc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C17H11ClN4/c18-16-17(20-15-9-5-4-8-14(15)19-16)22-11-10-13(21-22)12-6-2-1-3-7-12/h1-11H
InChIKeyUGWKMJNUFOXASV-UHFFFAOYSA-N
XLogP4.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-phenylpyrazol-1-yl)-1H-benzimidazole
CID 66014145
2,3-bis(3-pyridin-2-ylpyrazol-1-yl)quinoxaline
CID 71413064
1-(3-chlorophenyl)-3-phenylpyrazole
CID 170994248
2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline
CID 108772920
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole
CID 101073728
2-chloro-3-(2,6-diphenyl-4-pyridinyl)quinoxaline
CID 147700153
1-(2-methylthiophen-3-yl)-3-phenylpyrazole
CID 59804975
6-(3-phenylpyrazol-1-yl)-7H-purine
CID 66013947
1-(3,4-dimethylphenyl)-3-phenylpyrazole
CID 135064908
N-methyl-2-(3-phenylpyrazol-1-yl)aniline
CID 869424
3-(3-phenylpyrazol-1-yl)-1H-indole
CID 177256581
4-[(3-phenylpyrazol-1-yl)methyl]phenol
CID 59752932

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline?
The IUPAC name of 2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline (CID 58247217) is 2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline.
What is the SMILES notation for 2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline?
The canonical SMILES for 2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline is Clc1nc2ccccc2nc1-n1ccc(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline?
The InChIKey is UGWKMJNUFOXASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4/c18-16-17(20-15-9-5-4-8-14(15)19-16)22-11-10-13(21-22)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline?
2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline has a molecular weight of 306.76 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline is sourced from PubChem (CID 58247217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).