ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate

C14H15N3O3S — CID 69253669

IUPACethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1CN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C14H15N3O3S/c1-2-20-14(19)13-10-7-17(8-11(10)15-16-13)12(18)6-9-4-3-5-21-9/h3-5H,2,6-8H2,1H3,(H,15,16)
InChIKeyLSGJFZDEYUFYQO-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.73
Rot. Bonds4

About ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate

ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate (PubChem CID 69253669) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate
PubChem CID69253669
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Nameethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1CN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C14H15N3O3S/c1-2-20-14(19)13-10-7-17(8-11(10)15-16-13)12(18)6-9-4-3-5-21-9/h3-5H,2,6-8H2,1H3,(H,15,16)
InChIKeyLSGJFZDEYUFYQO-UHFFFAOYSA-N
XLogP1.73
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate with MolForge

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Related Compounds

3-(methoxymethyl)-5-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 97520287
3-(methoxymethyl)-5-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;2,2,2-trifluoroacetic acid
CID 118742808
ethyl 4-[3-methyl-6-oxo-4-(thiophen-2-yl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]benzoate
CID 3392110
Methyl 4-(5-(2-methoxyethyl)-6-oxo-3-(thiophen-2-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl)benzoate
CID 42648388
5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 69187650
5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
CID 69250579
ethyl 4-[(4R)-3-methyl-6-oxo-4-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 1384231
ethyl 4-[(4S)-3-methyl-6-oxo-4-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 1384232
methyl 4-[(4S)-5-(2-methoxyethyl)-6-oxo-3-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
CID 29127168
methyl 4-[(4R)-5-(2-methoxyethyl)-6-oxo-3-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
CID 29127170
[3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 30956925
N-{2-[{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}(methyl)amino]-1,1-dimethyl-2-oxoethyl}thiophene-2-carboxamide
CID 46990475

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate (CID 69253669) is ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate is CCOC(=O)c1n[nH]c2c1CN(C(=O)Cc1cccs1)C2.
What is the InChIKey of ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate?
The InChIKey is LSGJFZDEYUFYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-2-20-14(19)13-10-7-17(8-11(10)15-16-13)12(18)6-9-4-3-5-21-9/h3-5H,2,6-8H2,1H3,(H,15,16).
What are the key properties of ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate?
ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate is sourced from PubChem (CID 69253669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).