2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline

C16H17N5 — CID 126947471

IUPAC2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
SMILESCc1cnn(C2CCN(c3cnc4ccccc4n3)C2)c1
InChIInChI=1S/C16H17N5/c1-12-8-18-21(10-12)13-6-7-20(11-13)16-9-17-14-4-2-3-5-15(14)19-16/h2-5,8-10,13H,6-7,11H2,1H3
InChIKeyGHMLWKJUZXEFBR-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.59
Rot. Bonds2

About 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline

2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline (PubChem CID 126947471) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
PubChem CID126947471
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
SMILESCc1cnn(C2CCN(c3cnc4ccccc4n3)C2)c1
InChIInChI=1S/C16H17N5/c1-12-8-18-21(10-12)13-6-7-20(11-13)16-9-17-14-4-2-3-5-15(14)19-16/h2-5,8-10,13H,6-7,11H2,1H3
InChIKeyGHMLWKJUZXEFBR-UHFFFAOYSA-N
XLogP2.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
CID 126947305
2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine
CID 126947485
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95383312
1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile
CID 126900803
2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine
CID 126947503
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
CID 98763151
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
2-[3-(bromomethyl)pyrrolidin-1-yl]quinoxaline
CID 80679052
5-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene
CID 167885179
1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947693
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline?
The IUPAC name of 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline (CID 126947471) is 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline.
What is the SMILES notation for 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline?
The canonical SMILES for 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline is Cc1cnn(C2CCN(c3cnc4ccccc4n3)C2)c1.
What is the InChIKey of 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline?
The InChIKey is GHMLWKJUZXEFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12-8-18-21(10-12)13-6-7-20(11-13)16-9-17-14-4-2-3-5-15(14)19-16/h2-5,8-10,13H,6-7,11H2,1H3.
What are the key properties of 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline?
2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline has a molecular weight of 279.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline is sourced from PubChem (CID 126947471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).