N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide

C21H18N4O2S — CID 17494358

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C21H18N4O2S/c1-27-18-14-25(16-10-6-3-7-11-16)24-19(18)20(26)23-21-22-13-17(28-21)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,22,23,26)
InChIKeyLSSFIZWSCQPNAA-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.18
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide

N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 17494358) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID17494358
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C21H18N4O2S/c1-27-18-14-25(16-10-6-3-7-11-16)24-19(18)20(26)23-21-22-13-17(28-21)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,22,23,26)
InChIKeyLSSFIZWSCQPNAA-UHFFFAOYSA-N
XLogP4.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-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-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
N-(5-benzyl-1,3-thiazol-2-yl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651642
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide
CID 27844736
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
4-methoxy-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 35029722
4-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
CID 47038566
N-(2-benzylsulfanylethyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 9490337
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide
CID 17034116
N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
CID 46969715

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 17494358) is N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is LSSFIZWSCQPNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-27-18-14-25(16-10-6-3-7-11-16)24-19(18)20(26)23-21-22-13-17(28-21)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,22,23,26).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 17494358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).