5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide

C20H19N5OS — CID 99818353

IUPAC5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)c2ccc3nc(C)sc3c2)cnn1-c1ccccn1
InChIInChI=1S/C20H19N5OS/c1-4-17-15(12-22-25(17)19-7-5-6-10-21-19)20(26)24(3)14-8-9-16-18(11-14)27-13(2)23-16/h5-12H,4H2,1-3H3
InChIKeyBFHAASLFDLLXLZ-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.02
Rot. Bonds4

About 5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide

5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 99818353) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID99818353
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)c2ccc3nc(C)sc3c2)cnn1-c1ccccn1
InChIInChI=1S/C20H19N5OS/c1-4-17-15(12-22-25(17)19-7-5-6-10-21-19)20(26)24(3)14-8-9-16-18(11-14)27-13(2)23-16/h5-12H,4H2,1-3H3
InChIKeyBFHAASLFDLLXLZ-UHFFFAOYSA-N
XLogP4.02
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 86853859
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39092966
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
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 87043673
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 28606394
5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 119433437
5-ethyl-N-(3-hydroxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885720
4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352538
N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108739126

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide (CID 99818353) is 5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)N(C)c2ccc3nc(C)sc3c2)cnn1-c1ccccn1.
What is the InChIKey of 5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is BFHAASLFDLLXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-4-17-15(12-22-25(17)19-7-5-6-10-21-19)20(26)24(3)14-8-9-16-18(11-14)27-13(2)23-16/h5-12H,4H2,1-3H3.
What are the key properties of 5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide?
5-ethyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.02, 4 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-benzothiazol-6-yl)-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 99818353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).