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

C20H19N5OS — CID 108810873

IUPAC5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)cs1
InChIInChI=1S/C20H19N5OS/c1-12(18-11-27-14(3)23-18)22-20(26)16-10-21-25(13(16)2)19-9-8-15-6-4-5-7-17(15)24-19/h4-12H,1-3H3,(H,22,26)
InChIKeyYPAOGKQFWGDCAK-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.98
Rot. Bonds4

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

5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108810873) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108810873
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)cs1
InChIInChI=1S/C20H19N5OS/c1-12(18-11-27-14(3)23-18)22-20(26)16-10-21-25(13(16)2)19-9-8-15-6-4-5-7-17(15)24-19/h4-12H,1-3H3,(H,22,26)
InChIKeyYPAOGKQFWGDCAK-UHFFFAOYSA-N
XLogP3.98
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788899
5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide
CID 108788903
5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810824
N-(2-hydroxypropyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789019
3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108801795
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 42340788
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801774
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788845
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801856
N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789021

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108810873) is 5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide is Cc1nc(C(C)NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)cs1.
What is the InChIKey of 5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is YPAOGKQFWGDCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-12(18-11-27-14(3)23-18)22-20(26)16-10-21-25(13(16)2)19-9-8-15-6-4-5-7-17(15)24-19/h4-12H,1-3H3,(H,22,26).
What are the key properties of 5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide?
5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108810873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).