5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide

C19H22N4OS — CID 110222100

IUPAC5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(Cc2ccsc2)c2cccnc2)c1C
InChIInChI=1S/C19H22N4OS/c1-4-16-13(2)18(23(3)22-16)19(24)21-17(10-14-7-9-25-12-14)15-6-5-8-20-11-15/h5-9,11-12,17H,4,10H2,1-3H3,(H,21,24)
InChIKeyXIPWLPLFEJQFQH-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.46
Rot. Bonds6

About 5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide

5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide (PubChem CID 110222100) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide
PubChem CID110222100
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(Cc2ccsc2)c2cccnc2)c1C
InChIInChI=1S/C19H22N4OS/c1-4-16-13(2)18(23(3)22-16)19(24)21-17(10-14-7-9-25-12-14)15-6-5-8-20-11-15/h5-9,11-12,17H,4,10H2,1-3H3,(H,21,24)
InChIKeyXIPWLPLFEJQFQH-UHFFFAOYSA-N
XLogP3.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide
CID 110221887
5-ethyl-2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide
CID 110221976
5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide
CID 92588187
N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide
CID 92570534
2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
CID 110222101
N-methyl-1-pyridin-3-yl-2-thiophen-3-ylethanamine
CID 61077665
cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 92610648
4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861753
2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide
CID 92570518
4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 110222105
(1-pyridin-3-yl-3-thiophen-3-ylpropyl)hydrazine
CID 105196206
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-pyridin-3-ylethyl]hydrazine
CID 105196221

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide (CID 110222100) is 5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide is CCc1nn(C)c(C(=O)NC(Cc2ccsc2)c2cccnc2)c1C.
What is the InChIKey of 5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide?
The InChIKey is XIPWLPLFEJQFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-4-16-13(2)18(23(3)22-16)19(24)21-17(10-14-7-9-25-12-14)15-6-5-8-20-11-15/h5-9,11-12,17H,4,10H2,1-3H3,(H,21,24).
What are the key properties of 5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide?
5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110222100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).