[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone

C15H18N4O — CID 95971949

IUPAC[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(C)[C@@H]1CN(C(=O)c2ccn[nH]2)c2ccccc2N1
InChIInChI=1S/C15H18N4O/c1-10(2)13-9-19(15(20)12-7-8-16-18-12)14-6-4-3-5-11(14)17-13/h3-8,10,13,17H,9H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyJZLITFQLMHDHSK-ZDUSSCGKSA-N
MW270.34 g/mol
LogP2.51
Rot. Bonds2

About [(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone

[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 95971949) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID95971949
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(C)[C@@H]1CN(C(=O)c2ccn[nH]2)c2ccccc2N1
InChIInChI=1S/C15H18N4O/c1-10(2)13-9-19(15(20)12-7-8-16-18-12)14-6-4-3-5-11(14)17-13/h3-8,10,13,17H,9H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyJZLITFQLMHDHSK-ZDUSSCGKSA-N
XLogP2.51
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-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 [(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 95971949) is [(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone is CC(C)[C@@H]1CN(C(=O)c2ccn[nH]2)c2ccccc2N1.
What is the InChIKey of [(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is JZLITFQLMHDHSK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10(2)13-9-19(15(20)12-7-8-16-18-12)14-6-4-3-5-11(14)17-13/h3-8,10,13,17H,9H2,1-2H3,(H,16,18)/t13-/m0/s1.
What are the key properties of [(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone?
[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 95971949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).