3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide

C14H18N4O3S — CID 56764415

IUPAC3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(=O)NCCc1cccs1
InChIInChI=1S/C14H18N4O3S/c1-18-9-11(14(17-18)21-2)13(20)16-8-12(19)15-6-5-10-4-3-7-22-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyGNHNRASZHPLFHL-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.58
Rot. Bonds7

About 3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide (PubChem CID 56764415) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
PubChem CID56764415
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(=O)NCCc1cccs1
InChIInChI=1S/C14H18N4O3S/c1-18-9-11(14(17-18)21-2)13(20)16-8-12(19)15-6-5-10-4-3-7-22-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyGNHNRASZHPLFHL-UHFFFAOYSA-N
XLogP0.58
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
CID 121092281
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687947
N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473
3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 121091966
4-methoxy-1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 91813994
3-methoxy-1-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121091955
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770384
1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45497207

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide (CID 56764415) is 3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC(=O)NCCc1cccs1.
What is the InChIKey of 3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide?
The InChIKey is GNHNRASZHPLFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-18-9-11(14(17-18)21-2)13(20)16-8-12(19)15-6-5-10-4-3-7-22-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of 3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56764415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).