[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone

C17H22N4OS — CID 97462001

IUPAC[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(CN2Cc3c(C(=O)N4CCCC4)nn(C)c3C2)s1
InChIInChI=1S/C17H22N4OS/c1-12-5-6-13(23-12)9-20-10-14-15(11-20)19(2)18-16(14)17(22)21-7-3-4-8-21/h5-6H,3-4,7-11H2,1-2H3
InChIKeyVMSVIZKFMVYXMK-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.54
Rot. Bonds3

About [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone

[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97462001) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID97462001
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(CN2Cc3c(C(=O)N4CCCC4)nn(C)c3C2)s1
InChIInChI=1S/C17H22N4OS/c1-12-5-6-13(23-12)9-20-10-14-15(11-20)19(2)18-16(14)17(22)21-7-3-4-8-21/h5-6H,3-4,7-11H2,1-2H3
InChIKeyVMSVIZKFMVYXMK-UHFFFAOYSA-N
XLogP2.54
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[2-(4-Acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45253287
(3S*,4R*)-N,N-dimethyl-1-{[1-methyl-5-(2-thienyl)-1H-pyrazol-3-yl]carbonyl}-4-propyl-3-pyrrolidinamine
CID 70714899
5-[2-(1,3,5-Trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxamide
CID 72044189
5-[2-(1,3,5-Trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 72143529
[1-Methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 97389064
N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 97461922
N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97461988
N,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97461989
[1-Methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 97462019
(1-Benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 2402707
5-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171152
5-cyclopentyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171309

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone (CID 97462001) is [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(CN2Cc3c(C(=O)N4CCCC4)nn(C)c3C2)s1.
What is the InChIKey of [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VMSVIZKFMVYXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-5-6-13(23-12)9-20-10-14-15(11-20)19(2)18-16(14)17(22)21-7-3-4-8-21/h5-6H,3-4,7-11H2,1-2H3.
What are the key properties of [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 330.46 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97462001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).