formic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate

C14H18N4O6 — CID 154923275

IUPACformic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cc3n(n2)CCN(C)C3=O)C1.O=CO
InChIInChI=1S/C13H16N4O4.CH2O2/c1-15-3-4-17-10(12(15)19)5-9(14-17)11(18)16-6-8(7-16)13(20)21-2;2-1-3/h5,8H,3-4,6-7H2,1-2H3;1H,(H,2,3)
InChIKeyZKZUCYWJHUVWRY-UHFFFAOYSA-N
MW338.32 g/mol
LogP-1.09
Rot. Bonds2

About formic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate

formic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate (PubChem CID 154923275) has the molecular formula C14H18N4O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is formic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate.

Molecular Properties

Compound Nameformic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate
PubChem CID154923275
Molecular FormulaC14H18N4O6
Molecular Weight338.32 g/mol
Exact Mass338.12
IUPAC Nameformic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cc3n(n2)CCN(C)C3=O)C1.O=CO
InChIInChI=1S/C13H16N4O4.CH2O2/c1-15-3-4-17-10(12(15)19)5-9(14-17)11(18)16-6-8(7-16)13(20)21-2;2-1-3/h5,8H,3-4,6-7H2,1-2H3;1H,(H,2,3)
InChIKeyZKZUCYWJHUVWRY-UHFFFAOYSA-N
XLogP-1.09
TPSA122.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146046332
5-methyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146044273
5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146044926
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 155940223
2-[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146043523
2-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146041786
5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde
CID 126717669
N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146040508
2-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 170505516
ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate
CID 46077433
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 163306220
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 154565636

Frequently Asked Questions

What is the IUPAC name of formic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate?
The IUPAC name of formic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate (CID 154923275) is formic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate.
What is the SMILES notation for formic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate?
The canonical SMILES for formic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate is COC(=O)C1CN(C(=O)c2cc3n(n2)CCN(C)C3=O)C1.O=CO.
What is the InChIKey of formic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate?
The InChIKey is ZKZUCYWJHUVWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4.CH2O2/c1-15-3-4-17-10(12(15)19)5-9(14-17)11(18)16-6-8(7-16)13(20)21-2;2-1-3/h5,8H,3-4,6-7H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate?
formic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate has a molecular weight of 338.32 g/mol, XLogP of -1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;methyl 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)azetidine-3-carboxylate is sourced from PubChem (CID 154923275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).