[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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Related Compounds

[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
CID 83275681
1,2-dimethyl-5-(3-methylthiophene-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one
CID 97471115
1-[5-(benzenesulfonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-N,N-dimethylmethanamine
CID 134071888
[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 129477332
N,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine
CID 97405289
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-(3-methylthiophen-2-yl)methanone
CID 97468896
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
N,N-dimethyl-3-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]propane-1-sulfonamide;formic acid
CID 154920261

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).