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

C16H20N4O — CID 99775265

IUPAC(2-methylpyrazol-3-yl)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone
SMILESCC(C)[C@@H]1CN(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/t13-/m0/s1
InChIKeyQQHIHJFTJFUNRH-ZDUSSCGKSA-N
MW284.36 g/mol
LogP2.52
Rot. Bonds2

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

(2-methylpyrazol-3-yl)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone (PubChem CID 99775265) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone
PubChem CID99775265
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2-methylpyrazol-3-yl)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone
SMILESCC(C)[C@@H]1CN(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/t13-/m0/s1
InChIKeyQQHIHJFTJFUNRH-ZDUSSCGKSA-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

Analyze (2-methylpyrazol-3-yl)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone (CID 99775265) is (2-methylpyrazol-3-yl)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone is CC(C)[C@@H]1CN(C(=O)c2ccnn2C)c2ccccc2N1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone?
The InChIKey is QQHIHJFTJFUNRH-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of (2-methylpyrazol-3-yl)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[(3R)-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)-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone is sourced from PubChem (CID 99775265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).