N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C24H19N5O2S — CID 135591403

IUPACN-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H19N5O2S/c1-28(15-21-25-19-11-6-5-10-17(19)23(30)26-21)24(31)18-14-29(16-8-3-2-4-9-16)27-22(18)20-12-7-13-32-20/h2-14H,15H2,1H3,(H,25,26,30)
InChIKeyXUUGTOGXJMKKLL-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.11
Rot. Bonds5

About N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 135591403) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID135591403
Molecular FormulaC24H19N5O2S
Molecular Weight441.52 g/mol
Exact Mass441.13
IUPAC NameN-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H19N5O2S/c1-28(15-21-25-19-11-6-5-10-17(19)23(30)26-21)24(31)18-14-29(16-8-3-2-4-9-16)27-22(18)20-12-7-13-32-20/h2-14H,15H2,1H3,(H,25,26,30)
InChIKeyXUUGTOGXJMKKLL-UHFFFAOYSA-N
XLogP4.11
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 135591403) is N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is XUUGTOGXJMKKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c1-28(15-21-25-19-11-6-5-10-17(19)23(30)26-21)24(31)18-14-29(16-8-3-2-4-9-16)27-22(18)20-12-7-13-32-20/h2-14H,15H2,1H3,(H,25,26,30).
What are the key properties of N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 441.52 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 135591403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).