N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide

C26H20N4OS — CID 139226266

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)n2)cc1
InChIInChI=1S/C26H20N4OS/c1-18-12-14-19(15-13-18)23-17-32-26(27-23)28-25(31)22-16-30(21-10-6-3-7-11-21)29-24(22)20-8-4-2-5-9-20/h2-17H,1H3,(H,27,28,31)
InChIKeyGTQOSIABZMNDPE-UHFFFAOYSA-N
MW436.54 g/mol
LogP6.22
Rot. Bonds5

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

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 139226266) has the molecular formula C26H20N4OS and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID139226266
Molecular FormulaC26H20N4OS
Molecular Weight436.54 g/mol
Exact Mass436.14
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)n2)cc1
InChIInChI=1S/C26H20N4OS/c1-18-12-14-19(15-13-18)23-17-32-26(27-23)28-25(31)22-16-30(21-10-6-3-7-11-21)29-24(22)20-8-4-2-5-9-20/h2-17H,1H3,(H,27,28,31)
InChIKeyGTQOSIABZMNDPE-UHFFFAOYSA-N
XLogP6.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 43034340
1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29369468
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 134052896
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27167143
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 56930773
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16604951
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 26881990
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide (CID 139226266) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide is Cc1ccc(-c2csc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is GTQOSIABZMNDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4OS/c1-18-12-14-19(15-13-18)23-17-32-26(27-23)28-25(31)22-16-30(21-10-6-3-7-11-21)29-24(22)20-8-4-2-5-9-20/h2-17H,1H3,(H,27,28,31).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 139226266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).