(2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone

C16H20N4O — CID 102554920

IUPAC(2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone
SMILESCC(C)C1CN(C(=O)c2ccnn2C)c2ccccc2N1
InChIInChI=1S/C16H20N4O/c1-11(2)13-10-20(14-7-5-4-6-12(14)18-13)16(21)15-8-9-17-19(15)3/h4-9,11,13,18H,10H2,1-3H3
InChIKeyQQHIHJFTJFUNRH-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.52
Rot. Bonds2

About (2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone

(2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone (PubChem CID 102554920) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone
PubChem CID102554920
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone
SMILESCC(C)C1CN(C(=O)c2ccnn2C)c2ccccc2N1
InChIInChI=1S/C16H20N4O/c1-11(2)13-10-20(14-7-5-4-6-12(14)18-13)16(21)15-8-9-17-19(15)3/h4-9,11,13,18H,10H2,1-3H3
InChIKeyQQHIHJFTJFUNRH-UHFFFAOYSA-N
XLogP2.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone (CID 102554920) is (2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone is CC(C)C1CN(C(=O)c2ccnn2C)c2ccccc2N1.
What is the InChIKey of (2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The InChIKey is QQHIHJFTJFUNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)13-10-20(14-7-5-4-6-12(14)18-13)16(21)15-8-9-17-19(15)3/h4-9,11,13,18H,10H2,1-3H3.
What are the key properties of (2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone?
(2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)methanone is sourced from PubChem (CID 102554920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).