N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide

C28H24N4OS — CID 162647646

IUPACN-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3sc(-c4ccc(-c5ccccc5)cc4)nc3C)[nH]n2)cc1C
InChIInChI=1S/C28H24N4OS/c1-17-9-14-23(15-18(17)2)30-27(33)25-16-24(31-32-25)26-19(3)29-28(34-26)22-12-10-21(11-13-22)20-7-5-4-6-8-20/h4-16H,1-3H3,(H,30,33)(H,31,32)
InChIKeyPXWSNTKRXOJNHP-UHFFFAOYSA-N
MW464.59 g/mol
LogP7.04
Rot. Bonds5

About N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide

N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 162647646) has the molecular formula C28H24N4OS and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID162647646
Molecular FormulaC28H24N4OS
Molecular Weight464.59 g/mol
Exact Mass464.17
IUPAC NameN-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3sc(-c4ccc(-c5ccccc5)cc4)nc3C)[nH]n2)cc1C
InChIInChI=1S/C28H24N4OS/c1-17-9-14-23(15-18(17)2)30-27(33)25-16-24(31-32-25)26-19(3)29-28(34-26)22-12-10-21(11-13-22)20-7-5-4-6-8-20/h4-16H,1-3H3,(H,30,33)(H,31,32)
InChIKeyPXWSNTKRXOJNHP-UHFFFAOYSA-N
XLogP7.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
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CID 162644035
N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865072
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 45498891
5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-morpholin-4-yl-1H-pyrazole-3-carboxamide
CID 162650024
N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
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3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747881
N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
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N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide
CID 23829183
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide (CID 162647646) is N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3sc(-c4ccc(-c5ccccc5)cc4)nc3C)[nH]n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is PXWSNTKRXOJNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4OS/c1-17-9-14-23(15-18(17)2)30-27(33)25-16-24(31-32-25)26-19(3)29-28(34-26)22-12-10-21(11-13-22)20-7-5-4-6-8-20/h4-16H,1-3H3,(H,30,33)(H,31,32).
What are the key properties of N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 7.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 162647646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).