3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone

C16H19N5O — CID 54583350

IUPAC3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(c2cn[nH]c2)C1)N1CCNc2ccccc21
InChIInChI=1S/C16H19N5O/c22-16(20-7-5-12(11-20)13-9-18-19-10-13)21-8-6-17-14-3-1-2-4-15(14)21/h1-4,9-10,12,17H,5-8,11H2,(H,18,19)
InChIKeyMOXFLCBCDLHKPP-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.25
Rot. Bonds1

About 3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone

3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 54583350) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID54583350
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(c2cn[nH]c2)C1)N1CCNc2ccccc21
InChIInChI=1S/C16H19N5O/c22-16(20-7-5-12(11-20)13-9-18-19-10-13)21-8-6-17-14-3-1-2-4-15(14)21/h1-4,9-10,12,17H,5-8,11H2,(H,18,19)
InChIKeyMOXFLCBCDLHKPP-UHFFFAOYSA-N
XLogP2.25
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-diethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581376
1,3-dimethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581414
1,3-diethyl-5-(4-phenyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647070
(4-(1H-pyrazol-4-yl)piperidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 24896062
Rock-IN-D2
CID 45380564
1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 45381162
(3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 54580343
4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzonitrile
CID 54580344
(4-(1H-pyrazol-3-yl)piperidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 54581343
[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone
CID 54581344
(3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(4-methyl-3,4-dihydroquinoxalin-1(2H)-yl)methanone
CID 54584300
4-((4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3,4-dihydroquinoxalin-1(2H)-yl)methyl)-N-cyclopropylbenzamide
CID 54585261

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 54583350) is 3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone is O=C(N1CCC(c2cn[nH]c2)C1)N1CCNc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is MOXFLCBCDLHKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-16(20-7-5-12(11-20)13-9-18-19-10-13)21-8-6-17-14-3-1-2-4-15(14)21/h1-4,9-10,12,17H,5-8,11H2,(H,18,19).
What are the key properties of 3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 297.36 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinoxalin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 54583350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).