N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide

C20H16N6O4 — CID 24514493

IUPACN'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H16N6O4/c1-30-15-11-26(12-7-3-2-4-8-12)25-17(15)20(29)24-23-19(28)16-13-9-5-6-10-14(13)18(27)22-21-16/h2-11H,1H3,(H,22,27)(H,23,28)(H,24,29)
InChIKeyNRXUEYYHTMFISO-UHFFFAOYSA-N
MW404.39 g/mol
LogP1.19
Rot. Bonds4

About N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide

N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide (PubChem CID 24514493) has the molecular formula C20H16N6O4 and a molecular weight of 404.39 g/mol. Its IUPAC name is N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
PubChem CID24514493
Molecular FormulaC20H16N6O4
Molecular Weight404.39 g/mol
Exact Mass404.12
IUPAC NameN'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H16N6O4/c1-30-15-11-26(12-7-3-2-4-8-12)25-17(15)20(29)24-23-19(28)16-13-9-5-6-10-14(13)18(27)22-21-16/h2-11H,1H3,(H,22,27)(H,23,28)(H,24,29)
InChIKeyNRXUEYYHTMFISO-UHFFFAOYSA-N
XLogP1.19
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)pyridine-3-carbohydrazide
CID 26721272
N'-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 26873731
4-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
CID 47038566
N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 78780136
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049
N'-(2-methylbutanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 134012030
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 119204212
N'-[1-(4-bromophenyl)pyrazole-4-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 55786640
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide?
The IUPAC name of N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide (CID 24514493) is N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide?
The canonical SMILES for N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide is COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide?
The InChIKey is NRXUEYYHTMFISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O4/c1-30-15-11-26(12-7-3-2-4-8-12)25-17(15)20(29)24-23-19(28)16-13-9-5-6-10-14(13)18(27)22-21-16/h2-11H,1H3,(H,22,27)(H,23,28)(H,24,29).
What are the key properties of N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide?
N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide has a molecular weight of 404.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide is sourced from PubChem (CID 24514493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).