N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide

C23H22N4O2S — CID 48980197

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)s2)c(C)c1
InChIInChI=1S/C23H22N4O2S/c1-14-10-11-18(15(2)12-14)22-24-13-19(30-22)21(28)25-20-16(3)26(4)27(23(20)29)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,25,28)
InChIKeyVQPOFQKBDIWQEJ-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.48
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 48980197) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID48980197
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)s2)c(C)c1
InChIInChI=1S/C23H22N4O2S/c1-14-10-11-18(15(2)12-14)22-24-13-19(30-22)21(28)25-20-16(3)26(4)27(23(20)29)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,25,28)
InChIKeyVQPOFQKBDIWQEJ-UHFFFAOYSA-N
XLogP4.48
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 26003123
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CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dimethylphenyl)acetamide
CID 28631931
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinoline-3-carboxamide
CID 4555022
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CID 35807692
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
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CID 4871364
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
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N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 17011657
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 2240078
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 981598
5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide (CID 48980197) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2ncc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)s2)c(C)c1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VQPOFQKBDIWQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-14-10-11-18(15(2)12-14)22-24-13-19(30-22)21(28)25-20-16(3)26(4)27(23(20)29)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,25,28).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48980197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).