5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide

C22H20N4OS — CID 90546458

IUPAC5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C22H20N4OS/c1-15-20(28-22(25-15)17-9-5-3-6-10-17)14-23-21(27)19-13-24-26(16(19)2)18-11-7-4-8-12-18/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyNFWUSFORTVKVAL-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.54
Rot. Bonds5

About 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide

5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 90546458) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID90546458
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C22H20N4OS/c1-15-20(28-22(25-15)17-9-5-3-6-10-17)14-23-21(27)19-13-24-26(16(19)2)18-11-7-4-8-12-18/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyNFWUSFORTVKVAL-UHFFFAOYSA-N
XLogP4.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-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

Related Compounds

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 121123189
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 108738561
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 108737353
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 94048318
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 67080034
2,4-dimethyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 90546337
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 108737493
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 3827367
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
CID 119772200

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide (CID 90546458) is 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide is Cc1nc(-c2ccccc2)sc1CNC(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is NFWUSFORTVKVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-15-20(28-22(25-15)17-9-5-3-6-10-17)14-23-21(27)19-13-24-26(16(19)2)18-11-7-4-8-12-18/h3-13H,14H2,1-2H3,(H,23,27).
What are the key properties of 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide?
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 90546458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).