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

C15H23N5O — CID 91960239

IUPAC3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCc1nn(C)c2cnn(CCC(=O)N3CCC(C)CC3)c12
InChIInChI=1S/C15H23N5O/c1-11-4-7-19(8-5-11)14(21)6-9-20-15-12(2)17-18(3)13(15)10-16-20/h10-11H,4-9H2,1-3H3
InChIKeyYQPTUGZLAZMGTQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.73
Rot. Bonds3

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

3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 91960239) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID91960239
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCc1nn(C)c2cnn(CCC(=O)N3CCC(C)CC3)c12
InChIInChI=1S/C15H23N5O/c1-11-4-7-19(8-5-11)14(21)6-9-20-15-12(2)17-18(3)13(15)10-16-20/h10-11H,4-9H2,1-3H3
InChIKeyYQPTUGZLAZMGTQ-UHFFFAOYSA-N
XLogP1.73
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.73
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-pyrrolidin-1-ylpropan-1-one
CID 91960246
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 91960231
1-(azepan-1-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one
CID 91960396
N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960258
ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate
CID 91960393
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-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 17020847
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
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960266
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one
CID 91960385
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622534
3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one
CID 110680227

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 91960239) is 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one is Cc1nn(C)c2cnn(CCC(=O)N3CCC(C)CC3)c12.
What is the InChIKey of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is YQPTUGZLAZMGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11-4-7-19(8-5-11)14(21)6-9-20-15-12(2)17-18(3)13(15)10-16-20/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 289.38 g/mol, XLogP of 1.73, 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-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 91960239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).