3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide

C26H21ClN6O2 — CID 24598199

IUPAC3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide
SMILESCCn1c(NNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C26H21ClN6O2/c1-2-32-25(35)20-10-6-7-11-21(20)28-26(32)30-29-24(34)23-16-22(17-12-14-18(27)15-13-17)31-33(23)19-8-4-3-5-9-19/h3-16H,2H2,1H3,(H,28,30)(H,29,34)
InChIKeyOSFDFPZNUVZFMF-UHFFFAOYSA-N
MW484.95 g/mol
LogP4.68
Rot. Bonds6

About 3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide

3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide (PubChem CID 24598199) has the molecular formula C26H21ClN6O2 and a molecular weight of 484.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide
PubChem CID24598199
Molecular FormulaC26H21ClN6O2
Molecular Weight484.95 g/mol
Exact Mass484.14
IUPAC Name3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide
SMILESCCn1c(NNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C26H21ClN6O2/c1-2-32-25(35)20-10-6-7-11-21(20)28-26(32)30-29-24(34)23-16-22(17-12-14-18(27)15-13-17)31-33(23)19-8-4-3-5-9-19/h3-16H,2H2,1H3,(H,28,30)(H,29,34)
InChIKeyOSFDFPZNUVZFMF-UHFFFAOYSA-N
XLogP4.68
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.95
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-4-carbohydrazide
CID 24598228
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 78836431
2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide
CID 24598212
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
1-(3-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 24666388
N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
CID 134001910
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide
CID 24672388
3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide
CID 46529777
2-(2,6-dichlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 51251509
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide
CID 18289419
3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 9115824

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide?
The IUPAC name of 3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide (CID 24598199) is 3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide?
The canonical SMILES for 3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide is CCn1c(NNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide?
The InChIKey is OSFDFPZNUVZFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6O2/c1-2-32-25(35)20-10-6-7-11-21(20)28-26(32)30-29-24(34)23-16-22(17-12-14-18(27)15-13-17)31-33(23)19-8-4-3-5-9-19/h3-16H,2H2,1H3,(H,28,30)(H,29,34).
What are the key properties of 3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide?
3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide has a molecular weight of 484.95 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide is sourced from PubChem (CID 24598199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).