3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide

C22H20N6O3 — CID 71891472

IUPAC3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)CCn3cnc4ccccc4c3=O)[nH]n2)cc1
InChIInChI=1S/C22H20N6O3/c1-14-6-8-15(9-7-14)18-12-19(25-24-18)21(30)27-26-20(29)10-11-28-13-23-17-5-3-2-4-16(17)22(28)31/h2-9,12-13H,10-11H2,1H3,(H,24,25)(H,26,29)(H,27,30)
InChIKeyWRKVWLZQZWNTSA-UHFFFAOYSA-N
MW416.44 g/mol
LogP1.95
Rot. Bonds5

About 3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide

3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide (PubChem CID 71891472) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide
PubChem CID71891472
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)CCn3cnc4ccccc4c3=O)[nH]n2)cc1
InChIInChI=1S/C22H20N6O3/c1-14-6-8-15(9-7-14)18-12-19(25-24-18)21(30)27-26-20(29)10-11-28-13-23-17-5-3-2-4-16(17)22(28)31/h2-9,12-13H,10-11H2,1H3,(H,24,25)(H,26,29)(H,27,30)
InChIKeyWRKVWLZQZWNTSA-UHFFFAOYSA-N
XLogP1.95
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 51.95
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

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 55767150
N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide
CID 26122035
4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 34391804
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35828474
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147986
3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55729811
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55471858
3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 47083211
N-(4-methyl-2-propoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55902104

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide (CID 71891472) is 3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide is Cc1ccc(-c2cc(C(=O)NNC(=O)CCn3cnc4ccccc4c3=O)[nH]n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide?
The InChIKey is WRKVWLZQZWNTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-14-6-8-15(9-7-14)18-12-19(25-24-18)21(30)27-26-20(29)10-11-28-13-23-17-5-3-2-4-16(17)22(28)31/h2-9,12-13H,10-11H2,1H3,(H,24,25)(H,26,29)(H,27,30).
What are the key properties of 3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide?
3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide has a molecular weight of 416.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 71891472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).