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

C21H21N5OS — CID 52745731

IUPAC5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCc1ccccc1-c1csc(NC(=O)c2cnn(C)c2-n2c(C)ccc2C)n1
InChIInChI=1S/C21H21N5OS/c1-13-7-5-6-8-16(13)18-12-28-21(23-18)24-19(27)17-11-22-25(4)20(17)26-14(2)9-10-15(26)3/h5-12H,1-4H3,(H,23,24,27)
InChIKeyDLIZDYOPNQSMET-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.51
Rot. Bonds4

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

5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 52745731) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
PubChem CID52745731
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCc1ccccc1-c1csc(NC(=O)c2cnn(C)c2-n2c(C)ccc2C)n1
InChIInChI=1S/C21H21N5OS/c1-13-7-5-6-8-16(13)18-12-28-21(23-18)24-19(27)17-11-22-25(4)20(17)26-14(2)9-10-15(26)3/h5-12H,1-4H3,(H,23,24,27)
InChIKeyDLIZDYOPNQSMET-UHFFFAOYSA-N
XLogP4.51
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 60582528
3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 78897554
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
1-(2-fluorophenyl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821490
1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78865591
2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 78868970
6-chloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 39016010
2-(2-methoxyethylamino)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119711421
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39016344
2-chloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 39015982
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3517701

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide (CID 52745731) is 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide is Cc1ccccc1-c1csc(NC(=O)c2cnn(C)c2-n2c(C)ccc2C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The InChIKey is DLIZDYOPNQSMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-13-7-5-6-8-16(13)18-12-28-21(23-18)24-19(27)17-11-22-25(4)20(17)26-14(2)9-10-15(26)3/h5-12H,1-4H3,(H,23,24,27).
What are the key properties of 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 52745731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).