methyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate

C18H17N3O2 — CID 11023206

IUPACmethyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCOC(=O)C1=NN2c3ccccc3N(c3ccccc3)CC2C1
InChIInChI=1S/C18H17N3O2/c1-23-18(22)15-11-14-12-20(13-7-3-2-4-8-13)16-9-5-6-10-17(16)21(14)19-15/h2-10,14H,11-12H2,1H3
InChIKeyXSMMLSJWDCVKFW-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.95
Rot. Bonds2

About methyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate

methyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate (PubChem CID 11023206) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate
PubChem CID11023206
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Namemethyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCOC(=O)C1=NN2c3ccccc3N(c3ccccc3)CC2C1
InChIInChI=1S/C18H17N3O2/c1-23-18(22)15-11-14-12-20(13-7-3-2-4-8-13)16-9-5-6-10-17(16)21(14)19-15/h2-10,14H,11-12H2,1H3
InChIKeyXSMMLSJWDCVKFW-UHFFFAOYSA-N
XLogP2.95
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate
CID 12727543
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
methyl 6-oxo-4,4a-dihydro-3H-pyridazino[1,6-a][3,1]benzoxazine-2-carboxylate
CID 14941502
methyl 5-oxo-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-2-carboxylate
CID 11107600
methyl (3S)-3-(hydroxymethyl)-2-(4-methylphenyl)-3,4-dihydropyrazole-5-carboxylate
CID 102462053
(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 38013267
methyl 1-(5-ethoxycarbonyl-2-phenyl-3,4-dihydropyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 56556561
methyl (3S)-3-cyano-2-(4-methylphenyl)-3,4-dihydropyrazole-5-carboxylate
CID 102462052
ethyl 3-[[2-(4-carbamoylpiperidin-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508412
(4-methoxycyclohexyl) (3R)-3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 99622317
(4-methoxycyclohexyl) 3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 102559561
(4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 51934163

Frequently Asked Questions

What is the IUPAC name of methyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate?
The IUPAC name of methyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate (CID 11023206) is methyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate.
What is the SMILES notation for methyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate?
The canonical SMILES for methyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate is COC(=O)C1=NN2c3ccccc3N(c3ccccc3)CC2C1.
What is the InChIKey of methyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate?
The InChIKey is XSMMLSJWDCVKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-18(22)15-11-14-12-20(13-7-3-2-4-8-13)16-9-5-6-10-17(16)21(14)19-15/h2-10,14H,11-12H2,1H3.
What are the key properties of methyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate?
methyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 11023206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).