3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide

C14H12N6O3 — CID 60520729

IUPAC3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2ccn[nH]2)c2ccccc2c1=O
InChIInChI=1S/C14H12N6O3/c1-20-14(23)9-5-3-2-4-8(9)11(19-20)13(22)18-17-12(21)10-6-7-15-16-10/h2-7H,1H3,(H,15,16)(H,17,21)(H,18,22)
InChIKeyRMWGVBMLVRTQIM-UHFFFAOYSA-N
MW312.29 g/mol
LogP-0.27
Rot. Bonds2

About 3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide

3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide (PubChem CID 60520729) has the molecular formula C14H12N6O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide
PubChem CID60520729
Molecular FormulaC14H12N6O3
Molecular Weight312.29 g/mol
Exact Mass312.10
IUPAC Name3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2ccn[nH]2)c2ccccc2c1=O
InChIInChI=1S/C14H12N6O3/c1-20-14(23)9-5-3-2-4-8(9)11(19-20)13(22)18-17-12(21)10-6-7-15-16-10/h2-7H,1H3,(H,15,16)(H,17,21)(H,18,22)
InChIKeyRMWGVBMLVRTQIM-UHFFFAOYSA-N
XLogP-0.27
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
3-methyl-N'-(4-methylsulfonylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 26873192
N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 24654572
N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 51195423
N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 3525242
N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2674870
3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide
CID 42908214
N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide
CID 51552973
3-methyl-4-oxo-N'-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]phthalazine-1-carbohydrazide
CID 24608336
N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7948525
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2580288
N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide
CID 4854734

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide?
The IUPAC name of 3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide (CID 60520729) is 3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide.
What is the SMILES notation for 3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide?
The canonical SMILES for 3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide is Cn1nc(C(=O)NNC(=O)c2ccn[nH]2)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide?
The InChIKey is RMWGVBMLVRTQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O3/c1-20-14(23)9-5-3-2-4-8(9)11(19-20)13(22)18-17-12(21)10-6-7-15-16-10/h2-7H,1H3,(H,15,16)(H,17,21)(H,18,22).
What are the key properties of 3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide?
3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide has a molecular weight of 312.29 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide is sourced from PubChem (CID 60520729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).