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

C15H20N4OS — CID 97405275

IUPAC[3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1Cc2c(CN(C)C)nn(C)c2C1
InChIInChI=1S/C15H20N4OS/c1-10-5-6-21-14(10)15(20)19-7-11-12(8-17(2)3)16-18(4)13(11)9-19/h5-6H,7-9H2,1-4H3
InChIKeyBAJACRRLJVTQRW-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.01
Rot. Bonds3

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

[3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 97405275) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID97405275
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1Cc2c(CN(C)C)nn(C)c2C1
InChIInChI=1S/C15H20N4OS/c1-10-5-6-21-14(10)15(20)19-7-11-12(8-17(2)3)16-18(4)13(11)9-19/h5-6H,7-9H2,1-4H3
InChIKeyBAJACRRLJVTQRW-UHFFFAOYSA-N
XLogP2.01
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone (CID 97405275) is [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1Cc2c(CN(C)C)nn(C)c2C1.
What is the InChIKey of [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is BAJACRRLJVTQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-5-6-21-14(10)15(20)19-7-11-12(8-17(2)3)16-18(4)13(11)9-19/h5-6H,7-9H2,1-4H3.
What are the key properties of [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone?
[3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 304.42 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 97405275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).