methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate

C18H21N3O4 — CID 126713340

IUPACmethyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1nn2c(c1O)C(=O)N(C(C)C)CC2Cc1ccccc1
InChIInChI=1S/C18H21N3O4/c1-11(2)20-10-13(9-12-7-5-4-6-8-12)21-15(17(20)23)16(22)14(19-21)18(24)25-3/h4-8,11,13,22H,9-10H2,1-3H3
InChIKeyGLWVXRARGPRHJV-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.02
Rot. Bonds4

About methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 126713340) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID126713340
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Namemethyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1nn2c(c1O)C(=O)N(C(C)C)CC2Cc1ccccc1
InChIInChI=1S/C18H21N3O4/c1-11(2)20-10-13(9-12-7-5-4-6-8-12)21-15(17(20)23)16(22)14(19-21)18(24)25-3/h4-8,11,13,22H,9-10H2,1-3H3
InChIKeyGLWVXRARGPRHJV-UHFFFAOYSA-N
XLogP2.02
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

(8S)-8-benzyl-4-hydroxy-6-[(1S)-1-phenylethyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
CID 177223479
methyl 7-benzyl-3-butoxy-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 126713341
methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 86637145
1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione
CID 126689625
2-acetyl-7-benzyl-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 126709570
methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate
CID 58101083
methyl 1-[(S)-[(8R)-4-hydroxy-6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-8-yl]-phenylmethyl]indazole-3-carboxylate
CID 122532555
methyl 1-[(4-hydroxy-6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-8-yl)-phenylmethyl]indazole-3-carboxylate
CID 122532433
(7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 68952351
methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate
CID 68989004
(4-benzyl-2-oxo-1,3-oxazolidin-3-yl) propanoate
CID 175019030
dipropan-2-yl 3-benzyldiazetidine-1,2-dicarboxylate
CID 101404579

Frequently Asked Questions

What is the IUPAC name of methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate (CID 126713340) is methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1nn2c(c1O)C(=O)N(C(C)C)CC2Cc1ccccc1.
What is the InChIKey of methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is GLWVXRARGPRHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11(2)20-10-13(9-12-7-5-4-6-8-12)21-15(17(20)23)16(22)14(19-21)18(24)25-3/h4-8,11,13,22H,9-10H2,1-3H3.
What are the key properties of methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-benzyl-3-hydroxy-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 126713340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).