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

C25H21N7O2 — CID 24598227

IUPACN'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
SMILESCCn1c(NNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C25H21N7O2/c1-2-31-24(34)19-12-6-7-13-21(19)27-25(31)29-28-23(33)20-16-32(18-10-4-3-5-11-18)30-22(20)17-9-8-14-26-15-17/h3-16H,2H2,1H3,(H,27,29)(H,28,33)
InChIKeyHPNUBVSXHASZPV-UHFFFAOYSA-N
MW451.49 g/mol
LogP3.42
Rot. Bonds6

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

N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide (PubChem CID 24598227) has the molecular formula C25H21N7O2 and a molecular weight of 451.49 g/mol. Its IUPAC name is N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
PubChem CID24598227
Molecular FormulaC25H21N7O2
Molecular Weight451.49 g/mol
Exact Mass451.18
IUPAC NameN'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
SMILESCCn1c(NNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C25H21N7O2/c1-2-31-24(34)19-12-6-7-13-21(19)27-25(31)29-28-23(33)20-16-32(18-10-4-3-5-11-18)30-22(20)17-9-8-14-26-15-17/h3-16H,2H2,1H3,(H,27,29)(H,28,33)
InChIKeyHPNUBVSXHASZPV-UHFFFAOYSA-N
XLogP3.42
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 24598222
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
CID 46554469
2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide
CID 18139335
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 46657487
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 47026926
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide
CID 24598199
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide (CID 24598227) is N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide is CCn1c(NNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)nc2ccccc2c1=O.
What is the InChIKey of N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide?
The InChIKey is HPNUBVSXHASZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O2/c1-2-31-24(34)19-12-6-7-13-21(19)27-25(31)29-28-23(33)20-16-32(18-10-4-3-5-11-18)30-22(20)17-9-8-14-26-15-17/h3-16H,2H2,1H3,(H,27,29)(H,28,33).
What are the key properties of N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide?
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide has a molecular weight of 451.49 g/mol, XLogP of 3.42, 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-pyridin-3-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 24598227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).