3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one

C17H17N5O2 — CID 57329351

IUPAC3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
SMILESO=C(c1nc2ccccc2[nH]c1=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C17H17N5O2/c23-16-15(19-13-6-1-2-7-14(13)20-16)17(24)22-10-3-5-12(22)11-21-9-4-8-18-21/h1-2,4,6-9,12H,3,5,10-11H2,(H,20,23)
InChIKeyFIDIIWHEKRIOQB-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.42
Rot. Bonds3

About 3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one

3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one (PubChem CID 57329351) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
PubChem CID57329351
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
SMILESO=C(c1nc2ccccc2[nH]c1=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C17H17N5O2/c23-16-15(19-13-6-1-2-7-14(13)20-16)17(24)22-10-3-5-12(22)11-21-9-4-8-18-21/h1-2,4,6-9,12H,3,5,10-11H2,(H,20,23)
InChIKeyFIDIIWHEKRIOQB-UHFFFAOYSA-N
XLogP1.42
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one (CID 57329351) is 3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one is O=C(c1nc2ccccc2[nH]c1=O)N1CCCC1Cn1cccn1.
What is the InChIKey of 3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
The InChIKey is FIDIIWHEKRIOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-16-15(19-13-6-1-2-7-14(13)20-16)17(24)22-10-3-5-12(22)11-21-9-4-8-18-21/h1-2,4,6-9,12H,3,5,10-11H2,(H,20,23).
What are the key properties of 3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one has a molecular weight of 323.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 57329351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).