2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide

C15H19N3O3S — CID 74239049

IUPAC2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide
SMILESCOCc1cc(CN(C)C(=O)Cc2csc(C(C)=O)c2)[nH]n1
InChIInChI=1S/C15H19N3O3S/c1-10(19)14-4-11(9-22-14)5-15(20)18(2)7-12-6-13(8-21-3)17-16-12/h4,6,9H,5,7-8H2,1-3H3,(H,16,17)
InChIKeyNMCHUUKYUURAPP-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.02
Rot. Bonds7

About 2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide

2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide (PubChem CID 74239049) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide
PubChem CID74239049
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide
SMILESCOCc1cc(CN(C)C(=O)Cc2csc(C(C)=O)c2)[nH]n1
InChIInChI=1S/C15H19N3O3S/c1-10(19)14-4-11(9-22-14)5-15(20)18(2)7-12-6-13(8-21-3)17-16-12/h4,6,9H,5,7-8H2,1-3H3,(H,16,17)
InChIKeyNMCHUUKYUURAPP-UHFFFAOYSA-N
XLogP2.02
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70729636
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 67315430
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 39120169
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 39120175
[2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70783078
5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 25286870
5-(1-cyclopentyl-2-pyrrolidinyl)-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-2-thiophenecarboxamide
CID 45215067
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 56744209
1-[(5-propyl-1H-pyrazol-3-yl)carbonyl]-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]
CID 135102517
ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate
CID 69253669
5-ethyl-N-[5-[1-methoxy-2-(methylamino)ethyl]thiophen-2-yl]-4-methyl-1H-pyrazole-3-carboxamide
CID 164898241
5-ethyl-4-methyl-N-(5-morpholin-2-ylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 164898251

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide (CID 74239049) is 2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide is COCc1cc(CN(C)C(=O)Cc2csc(C(C)=O)c2)[nH]n1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide?
The InChIKey is NMCHUUKYUURAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10(19)14-4-11(9-22-14)5-15(20)18(2)7-12-6-13(8-21-3)17-16-12/h4,6,9H,5,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide?
2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide has a molecular weight of 321.40 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 74239049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).