5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide

C24H19N5OS — CID 108810824

IUPAC5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3cnn(-c4ccc5ccccc5n4)c3C)cc2)cs1
InChIInChI=1S/C24H19N5OS/c1-15-20(13-25-29(15)23-12-9-17-5-3-4-6-21(17)28-23)24(30)27-19-10-7-18(8-11-19)22-14-31-16(2)26-22/h3-14H,1-2H3,(H,27,30)
InChIKeyGASRRZSOXPQKSJ-UHFFFAOYSA-N
MW425.52 g/mol
LogP5.41
Rot. Bonds4

About 5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide

5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108810824) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108810824
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3cnn(-c4ccc5ccccc5n4)c3C)cc2)cs1
InChIInChI=1S/C24H19N5OS/c1-15-20(13-25-29(15)23-12-9-17-5-3-4-6-21(17)28-23)24(30)27-19-10-7-18(8-11-19)22-14-31-16(2)26-22/h3-14H,1-2H3,(H,27,30)
InChIKeyGASRRZSOXPQKSJ-UHFFFAOYSA-N
XLogP5.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.52
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789021
[4-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]phenyl] thiocyanate
CID 108788981
5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810873
N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788844
N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801833
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789018
5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 34406836
5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 108789024
N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788906
N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801855
methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
CID 108727336

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108810824) is 5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide is Cc1nc(-c2ccc(NC(=O)c3cnn(-c4ccc5ccccc5n4)c3C)cc2)cs1.
What is the InChIKey of 5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is GASRRZSOXPQKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c1-15-20(13-25-29(15)23-12-9-17-5-3-4-6-21(17)28-23)24(30)27-19-10-7-18(8-11-19)22-14-31-16(2)26-22/h3-14H,1-2H3,(H,27,30).
What are the key properties of 5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide?
5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 425.52 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108810824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).