3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one

C13H19N5O — CID 91960246

IUPAC3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nn(C)c2cnn(CCC(=O)N3CCCC3)c12
InChIInChI=1S/C13H19N5O/c1-10-13-11(16(2)15-10)9-14-18(13)8-5-12(19)17-6-3-4-7-17/h9H,3-8H2,1-2H3
InChIKeyDCIWWXKLAZIZOG-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.09
Rot. Bonds3

About 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one

3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 91960246) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID91960246
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nn(C)c2cnn(CCC(=O)N3CCCC3)c12
InChIInChI=1S/C13H19N5O/c1-10-13-11(16(2)15-10)9-14-18(13)8-5-12(19)17-6-3-4-7-17/h9H,3-8H2,1-2H3
InChIKeyDCIWWXKLAZIZOG-UHFFFAOYSA-N
XLogP1.09
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 91960239
1-(azepan-1-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one
CID 91960396
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 91960231
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 91960276
ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate
CID 91960393
N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960258
3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 91960490
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one
CID 91960385
N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
CID 91960269
tert-butyl N-[1-[3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperidin-4-yl]carbamate
CID 91960631
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide
CID 91960218
1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
CID 95751410

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 91960246) is 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one is Cc1nn(C)c2cnn(CCC(=O)N3CCCC3)c12.
What is the InChIKey of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is DCIWWXKLAZIZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10-13-11(16(2)15-10)9-14-18(13)8-5-12(19)17-6-3-4-7-17/h9H,3-8H2,1-2H3.
What are the key properties of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 261.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 91960246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).