2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide

C23H21FN4O — CID 171619043

IUPAC2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide
SMILESCc1cc(C)n2nc(-c3ccc(F)cc3)c(CC(=O)N(C)c3ccccc3)c2n1
InChIInChI=1S/C23H21FN4O/c1-15-13-16(2)28-23(25-15)20(22(26-28)17-9-11-18(24)12-10-17)14-21(29)27(3)19-7-5-4-6-8-19/h4-13H,14H2,1-3H3
InChIKeyHACUHDKLOWPHIN-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.36
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide

2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide (PubChem CID 171619043) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide
PubChem CID171619043
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide
SMILESCc1cc(C)n2nc(-c3ccc(F)cc3)c(CC(=O)N(C)c3ccccc3)c2n1
InChIInChI=1S/C23H21FN4O/c1-15-13-16(2)28-23(25-15)20(22(26-28)17-9-11-18(24)12-10-17)14-21(29)27(3)19-7-5-4-6-8-19/h4-13H,14H2,1-3H3
InChIKeyHACUHDKLOWPHIN-UHFFFAOYSA-N
XLogP4.36
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide
CID 171618999
2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 177056290
2-[5,7-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 71181881
N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 171619030
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 122591429
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylacetamide
CID 16878802
2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide
CID 91903896
2-[4-[3-[2-(diethylamino)-2-oxoethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethyl 4-methylbenzenesulfonate
CID 122580794
methyl 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate
CID 57412729
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
CID 17488468
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
CID 162689286
2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide
CID 162533325

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide (CID 171619043) is 2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide is Cc1cc(C)n2nc(-c3ccc(F)cc3)c(CC(=O)N(C)c3ccccc3)c2n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide?
The InChIKey is HACUHDKLOWPHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-15-13-16(2)28-23(25-15)20(22(26-28)17-9-11-18(24)12-10-17)14-21(29)27(3)19-7-5-4-6-8-19/h4-13H,14H2,1-3H3.
What are the key properties of 2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide?
2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide has a molecular weight of 388.45 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 171619043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).