N,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide

C16H20N4O3S — CID 155870738

IUPACN,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide
SMILESCc1csc(C(=O)N2Cc3[nH]nc(COCC(=O)N(C)C)c3C2)c1
InChIInChI=1S/C16H20N4O3S/c1-10-4-14(24-9-10)16(22)20-5-11-12(6-20)17-18-13(11)7-23-8-15(21)19(2)3/h4,9H,5-8H2,1-3H3,(H,17,18)
InChIKeyOQQNXHQBAFPVMD-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.54
Rot. Bonds5

About N,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide

N,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide (PubChem CID 155870738) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide
PubChem CID155870738
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide
SMILESCc1csc(C(=O)N2Cc3[nH]nc(COCC(=O)N(C)C)c3C2)c1
InChIInChI=1S/C16H20N4O3S/c1-10-4-14(24-9-10)16(22)20-5-11-12(6-20)17-18-13(11)7-23-8-15(21)19(2)3/h4,9H,5-8H2,1-3H3,(H,17,18)
InChIKeyOQQNXHQBAFPVMD-UHFFFAOYSA-N
XLogP1.54
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methoxymethyl)-5-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 97520287
5-(1-cyclopentyl-2-pyrrolidinyl)-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-2-thiophenecarboxamide
CID 45215067
ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate
CID 69253669
5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide
CID 31044711
5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide
CID 31044715
N-{2-[{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}(methyl)amino]-1,1-dimethyl-2-oxoethyl}thiophene-2-carboxamide
CID 46990475
2-(5-acetyl-3-thienyl)-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-N-methylacetamide
CID 74239049
[2-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 132335576
N,N-dimethyl-2-[[5-[(E)-3-thiophen-2-ylprop-2-enoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide
CID 155870853

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide (CID 155870738) is N,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide is Cc1csc(C(=O)N2Cc3[nH]nc(COCC(=O)N(C)C)c3C2)c1.
What is the InChIKey of N,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide?
The InChIKey is OQQNXHQBAFPVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10-4-14(24-9-10)16(22)20-5-11-12(6-20)17-18-13(11)7-23-8-15(21)19(2)3/h4,9H,5-8H2,1-3H3,(H,17,18).
What are the key properties of N,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide?
N,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide has a molecular weight of 348.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-(4-methylthiophene-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methoxy]acetamide is sourced from PubChem (CID 155870738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).