N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide

C13H16N4OS — CID 97461962

IUPACN,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(Cc1ccsc1)C2
InChIInChI=1S/C13H16N4OS/c1-16(2)13(18)12-10-6-17(7-11(10)14-15-12)5-9-3-4-19-8-9/h3-4,8H,5-7H2,1-2H3,(H,14,15)
InChIKeyLQHWQEBSZMZKHJ-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.69
Rot. Bonds3

About N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide

N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide (PubChem CID 97461962) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
PubChem CID97461962
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(Cc1ccsc1)C2
InChIInChI=1S/C13H16N4OS/c1-16(2)13(18)12-10-6-17(7-11(10)14-15-12)5-9-3-4-19-8-9/h3-4,8H,5-7H2,1-2H3,(H,14,15)
InChIKeyLQHWQEBSZMZKHJ-UHFFFAOYSA-N
XLogP1.69
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 134075984
N,N-dimethyl-6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 97388981
morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97408296
N-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166620617
1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 60786486
N,N-dimethyl-2-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetamide
CID 134690321
N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 97445497
[3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 35438430
5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 110875657
5-(furan-2-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97408304
2-(3-methylazetidin-3-yl)oxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 102611807
N,N-dimethyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43681971

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide (CID 97461962) is N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide is CN(C)C(=O)c1n[nH]c2c1CN(Cc1ccsc1)C2.
What is the InChIKey of N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The InChIKey is LQHWQEBSZMZKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-16(2)13(18)12-10-6-17(7-11(10)14-15-12)5-9-3-4-19-8-9/h3-4,8H,5-7H2,1-2H3,(H,14,15).
What are the key properties of N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 97461962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).