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

C19H23FN6O — CID 91960231

IUPAC3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCc1nn(C)c2cnn(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c12
InChIInChI=1S/C19H23FN6O/c1-14-19-17(23(2)22-14)13-21-26(19)8-7-18(27)25-11-9-24(10-12-25)16-5-3-15(20)4-6-16/h3-6,13H,7-12H2,1-2H3
InChIKeyNAJAYSHBLLTSON-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.96
Rot. Bonds4

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

3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 91960231) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID91960231
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCc1nn(C)c2cnn(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c12
InChIInChI=1S/C19H23FN6O/c1-14-19-17(23(2)22-14)13-21-26(19)8-7-18(27)25-11-9-24(10-12-25)16-5-3-15(20)4-6-16/h3-6,13H,7-12H2,1-2H3
InChIKeyNAJAYSHBLLTSON-UHFFFAOYSA-N
XLogP1.96
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 91960246
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1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
CID 95754598
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
1-(4-fluorophenyl)-6-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16882521
6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
CID 50789133
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
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CID 591294
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-iodo-3,5-dimethylpyrazol-1-yl)ethanone
CID 21071008
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 55590815
(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 18282259
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 91960231) is 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is Cc1nn(C)c2cnn(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c12.
What is the InChIKey of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is NAJAYSHBLLTSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-14-19-17(23(2)22-14)13-21-26(19)8-7-18(27)25-11-9-24(10-12-25)16-5-3-15(20)4-6-16/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 370.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 91960231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).