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

C22H20N4OS — CID 108737493

IUPAC5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccccc1-c1nc(CNC(=O)c2cnn(-c3ccccc3)c2C)cs1
InChIInChI=1S/C22H20N4OS/c1-15-8-6-7-11-19(15)22-25-17(14-28-22)12-23-21(27)20-13-24-26(16(20)2)18-9-4-3-5-10-18/h3-11,13-14H,12H2,1-2H3,(H,23,27)
InChIKeyVIFYSYIKCAJJQE-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.54
Rot. Bonds5

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

5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 108737493) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID108737493
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccccc1-c1nc(CNC(=O)c2cnn(-c3ccccc3)c2C)cs1
InChIInChI=1S/C22H20N4OS/c1-15-8-6-7-11-19(15)22-25-17(14-28-22)12-23-21(27)20-13-24-26(16(20)2)18-9-4-3-5-10-18/h3-11,13-14H,12H2,1-2H3,(H,23,27)
InChIKeyVIFYSYIKCAJJQE-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

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Related Compounds

5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 108737353
5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 108738561
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 121123189
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 90546458
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 108737407
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
3-fluoro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108737461
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108760326
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 3827367

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide (CID 108737493) is 5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide is Cc1ccccc1-c1nc(CNC(=O)c2cnn(-c3ccccc3)c2C)cs1.
What is the InChIKey of 5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is VIFYSYIKCAJJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-15-8-6-7-11-19(15)22-25-17(14-28-22)12-23-21(27)20-13-24-26(16(20)2)18-9-4-3-5-10-18/h3-11,13-14H,12H2,1-2H3,(H,23,27).
What are the key properties of 5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide?
5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-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-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108737493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).