3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one

C21H24N4O — CID 6622461

IUPAC3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CCCC1
InChIInChI=1S/C21H24N4O/c1-15-18(10-11-21(26)24-12-6-7-13-24)16(2)25-20(22-15)14-19(23-25)17-8-4-3-5-9-17/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyHDKIMRGSAFQPTC-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.57
Rot. Bonds4

About 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one

3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 6622461) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID6622461
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CCCC1
InChIInChI=1S/C21H24N4O/c1-15-18(10-11-21(26)24-12-6-7-13-24)16(2)25-20(22-15)14-19(23-25)17-8-4-3-5-9-17/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyHDKIMRGSAFQPTC-UHFFFAOYSA-N
XLogP3.57
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 20863221
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 20863481
N-cyclopentyl-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 6619700
3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one
CID 20863308
2-methyl-2-phenyl-1-[4-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 38453977
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CID 23603999
3-[5,7-dimethyl-2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124952047
3-[2-(1-cyclopentylpyrrolidin-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 110088000
N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20862983
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide
CID 20862942
3-[2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-piperidin-1-ylpropan-1-one
CID 124947400

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 6622461) is 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one is Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CCCC1.
What is the InChIKey of 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HDKIMRGSAFQPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-18(10-11-21(26)24-12-6-7-13-24)16(2)25-20(22-15)14-19(23-25)17-8-4-3-5-9-17/h3-5,8-9,14H,6-7,10-13H2,1-2H3.
What are the key properties of 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 348.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 6622461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).