3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide

C22H27FN4O — CID 20863195

IUPAC3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCC(C)C
InChIInChI=1S/C22H27FN4O/c1-14(2)10-11-24-22(28)9-8-19-15(3)25-21-13-20(26-27(21)16(19)4)17-6-5-7-18(23)12-17/h5-7,12-14H,8-11H2,1-4H3,(H,24,28)
InChIKeyWSANDHZIEYHVQH-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.25
Rot. Bonds7

About 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide

3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide (PubChem CID 20863195) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide
PubChem CID20863195
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCC(C)C
InChIInChI=1S/C22H27FN4O/c1-14(2)10-11-24-22(28)9-8-19-15(3)25-21-13-20(26-27(21)16(19)4)17-6-5-7-18(23)12-17/h5-7,12-14H,8-11H2,1-4H3,(H,24,28)
InChIKeyWSANDHZIEYHVQH-UHFFFAOYSA-N
XLogP4.25
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 20863197
N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863172
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methylphenyl)propanamide
CID 20863138
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
CID 5307926
N-cyclopentyl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863151
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 20863221
N-(3-hydroxybutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 111433373
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 20862990
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide
CID 20862911
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
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 23603999

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide (CID 20863195) is 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide is Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCC(C)C.
What is the InChIKey of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is WSANDHZIEYHVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-14(2)10-11-24-22(28)9-8-19-15(3)25-21-13-20(26-27(21)16(19)4)17-6-5-7-18(23)12-17/h5-7,12-14H,8-11H2,1-4H3,(H,24,28).
What are the key properties of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide?
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 382.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 20863195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).