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

C17H19N5OS — CID 51096775

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cn(C)nc2-c2cccnc2)s1
InChIInChI=1S/C17H19N5OS/c1-10-16(24-12(3)19-10)11(2)20-17(23)14-9-22(4)21-15(14)13-6-5-7-18-8-13/h5-9,11H,1-4H3,(H,20,23)
InChIKeyQRCHRTIFGWMFRO-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.05
Rot. Bonds4

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 51096775) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID51096775
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cn(C)nc2-c2cccnc2)s1
InChIInChI=1S/C17H19N5OS/c1-10-16(24-12(3)19-10)11(2)20-17(23)14-9-22(4)21-15(14)13-6-5-7-18-8-13/h5-9,11H,1-4H3,(H,20,23)
InChIKeyQRCHRTIFGWMFRO-UHFFFAOYSA-N
XLogP3.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)benzamide
CID 61376507
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CID 51094948
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-methylbenzamide
CID 62512190
3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 99812966
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 166234870
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-4-carboxamide
CID 75436219
1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 171315090
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 47317319
4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192187
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107025589
N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 154775507
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 51096775) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide is Cc1nc(C)c(C(C)NC(=O)c2cn(C)nc2-c2cccnc2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is QRCHRTIFGWMFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-10-16(24-12(3)19-10)11(2)20-17(23)14-9-22(4)21-15(14)13-6-5-7-18-8-13/h5-9,11H,1-4H3,(H,20,23).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 51096775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).