5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide

C13H13N5O3 — CID 104735546

IUPAC5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1Cn1ccn2nccc2c1=O
InChIInChI=1S/C13H13N5O3/c1-8-9(6-11(21-8)12(19)16-14)7-17-4-5-18-10(13(17)20)2-3-15-18/h2-6H,7,14H2,1H3,(H,16,19)
InChIKeyKCFFSTUYYIHXIK-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.05
Rot. Bonds3

About 5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide

5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide (PubChem CID 104735546) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide
PubChem CID104735546
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1Cn1ccn2nccc2c1=O
InChIInChI=1S/C13H13N5O3/c1-8-9(6-11(21-8)12(19)16-14)7-17-4-5-18-10(13(17)20)2-3-15-18/h2-6H,7,14H2,1H3,(H,16,19)
InChIKeyKCFFSTUYYIHXIK-UHFFFAOYSA-N
XLogP0.05
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide
CID 104735538
5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide
CID 80582837
5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 104735539
5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide
CID 80582703
5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 55213686
2-amino-6-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzoic acid
CID 104825110
3-fluoro-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzoic acid
CID 104735515
4-fluoro-3-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzoic acid
CID 104735517
4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63577829
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63579238
4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63570994

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide (CID 104735546) is 5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide is Cc1oc(C(=O)NN)cc1Cn1ccn2nccc2c1=O.
What is the InChIKey of 5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide?
The InChIKey is KCFFSTUYYIHXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-8-9(6-11(21-8)12(19)16-14)7-17-4-5-18-10(13(17)20)2-3-15-18/h2-6H,7,14H2,1H3,(H,16,19).
What are the key properties of 5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide?
5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide has a molecular weight of 287.28 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 104735546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).