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

C15H20N4O3S — CID 121092281

IUPAC3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(C)CC(=O)NCCc1cccs1
InChIInChI=1S/C15H20N4O3S/c1-18(15(21)12-9-19(2)17-14(12)22-3)10-13(20)16-7-6-11-5-4-8-23-11/h4-5,8-9H,6-7,10H2,1-3H3,(H,16,20)
InChIKeyASMJQTBSVIYHFT-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.92
Rot. Bonds7

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

3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide (PubChem CID 121092281) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
PubChem CID121092281
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(C)CC(=O)NCCc1cccs1
InChIInChI=1S/C15H20N4O3S/c1-18(15(21)12-9-19(2)17-14(12)22-3)10-13(20)16-7-6-11-5-4-8-23-11/h4-5,8-9H,6-7,10H2,1-3H3,(H,16,20)
InChIKeyASMJQTBSVIYHFT-UHFFFAOYSA-N
XLogP0.92
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
CID 56764415
3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 121092078
3-methoxy-N,1-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121092202
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092184
methyl 4-[methyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]butanoate
CID 62012890
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092232
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 8540690
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951
N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092168
methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate
CID 51091360
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687947

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide (CID 121092281) is 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)N(C)CC(=O)NCCc1cccs1.
What is the InChIKey of 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide?
The InChIKey is ASMJQTBSVIYHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-18(15(21)12-9-19(2)17-14(12)22-3)10-13(20)16-7-6-11-5-4-8-23-11/h4-5,8-9H,6-7,10H2,1-3H3,(H,16,20).
What are the key properties of 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide?
3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121092281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).