1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one

C14H14N4O — CID 72923084

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one
SMILESCc1c(Cn2c(=O)cnc3ccccc32)cnn1C
InChIInChI=1S/C14H14N4O/c1-10-11(7-16-17(10)2)9-18-13-6-4-3-5-12(13)15-8-14(18)19/h3-8H,9H2,1-2H3
InChIKeyDWLBBKBIROKUGT-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.49
Rot. Bonds2

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one

1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one (PubChem CID 72923084) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one
PubChem CID72923084
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one
SMILESCc1c(Cn2c(=O)cnc3ccccc32)cnn1C
InChIInChI=1S/C14H14N4O/c1-10-11(7-16-17(10)2)9-18-13-6-4-3-5-12(13)15-8-14(18)19/h3-8H,9H2,1-2H3
InChIKeyDWLBBKBIROKUGT-UHFFFAOYSA-N
XLogP1.49
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one (CID 72923084) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one is Cc1c(Cn2c(=O)cnc3ccccc32)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one?
The InChIKey is DWLBBKBIROKUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-11(7-16-17(10)2)9-18-13-6-4-3-5-12(13)15-8-14(18)19/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one?
1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one has a molecular weight of 254.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one is sourced from PubChem (CID 72923084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).