N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide

C24H20N6O2S — CID 24598222

IUPACN'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide
SMILESCCn1c(NNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C24H20N6O2S/c1-2-29-23(32)17-11-6-7-12-19(17)25-24(29)27-26-22(31)18-15-30(16-9-4-3-5-10-16)28-21(18)20-13-8-14-33-20/h3-15H,2H2,1H3,(H,25,27)(H,26,31)
InChIKeyUJERUEYEAIACCT-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.09
Rot. Bonds6

About N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide

N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide (PubChem CID 24598222) has the molecular formula C24H20N6O2S and a molecular weight of 456.53 g/mol. Its IUPAC name is N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide
PubChem CID24598222
Molecular FormulaC24H20N6O2S
Molecular Weight456.53 g/mol
Exact Mass456.14
IUPAC NameN'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide
SMILESCCn1c(NNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C24H20N6O2S/c1-2-29-23(32)17-11-6-7-12-19(17)25-24(29)27-26-22(31)18-15-30(16-9-4-3-5-10-16)28-21(18)20-13-8-14-33-20/h3-15H,2H2,1H3,(H,25,27)(H,26,31)
InChIKeyUJERUEYEAIACCT-UHFFFAOYSA-N
XLogP4.09
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
(4-Phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2312348
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
Cambridge id 5583804
CID 1350714
2-fluoro-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6904822
2-methyl-3-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]quinazolin-4-one
CID 6904937
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 16308031
[4-(1,3-Diphenylpyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 16301500
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049045
2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049075
2-[5-methyl-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049085
2-[5-methyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049143

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide (CID 24598222) is N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide is CCn1c(NNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)nc2ccccc2c1=O.
What is the InChIKey of N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide?
The InChIKey is UJERUEYEAIACCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2S/c1-2-29-23(32)17-11-6-7-12-19(17)25-24(29)27-26-22(31)18-15-30(16-9-4-3-5-10-16)28-21(18)20-13-8-14-33-20/h3-15H,2H2,1H3,(H,25,27)(H,26,31).
What are the key properties of N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide?
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide has a molecular weight of 456.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 24598222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).