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

C17H19N5OS — CID 86853859

IUPAC5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2csc(C)n2)cnn1-c1ccccn1
InChIInChI=1S/C17H19N5OS/c1-4-15-14(9-19-22(15)16-7-5-6-8-18-16)17(23)21(3)10-13-11-24-12(2)20-13/h5-9,11H,4,10H2,1-3H3
InChIKeyBYPQSJPGHIUZRM-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.87
Rot. Bonds5

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

5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 86853859) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID86853859
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2csc(C)n2)cnn1-c1ccccn1
InChIInChI=1S/C17H19N5OS/c1-4-15-14(9-19-22(15)16-7-5-6-8-18-16)17(23)21(3)10-13-11-24-12(2)20-13/h5-9,11H,4,10H2,1-3H3
InChIKeyBYPQSJPGHIUZRM-UHFFFAOYSA-N
XLogP2.87
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 99818353
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55649220
N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 55134622
ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 39048048
N,5-diethyl-N-(2-ethylbutyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 60621587
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39043684
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648943
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 87043673
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 107518848
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 86855483
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86862469

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide (CID 86853859) is 5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)N(C)Cc2csc(C)n2)cnn1-c1ccccn1.
What is the InChIKey of 5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is BYPQSJPGHIUZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-4-15-14(9-19-22(15)16-7-5-6-8-18-16)17(23)21(3)10-13-11-24-12(2)20-13/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 86853859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).