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

C20H23FN4O — CID 20863194

IUPAC3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NC(C)C
InChIInChI=1S/C20H23FN4O/c1-12(2)22-20(26)9-8-17-13(3)23-19-11-18(24-25(19)14(17)4)15-6-5-7-16(21)10-15/h5-7,10-12H,8-9H2,1-4H3,(H,22,26)
InChIKeyNMEXFXSAQPWRIJ-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.61
Rot. Bonds5

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

3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide (PubChem CID 20863194) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
PubChem CID20863194
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NC(C)C
InChIInChI=1S/C20H23FN4O/c1-12(2)22-20(26)9-8-17-13(3)23-19-11-18(24-25(19)14(17)4)15-6-5-7-16(21)10-15/h5-7,10-12H,8-9H2,1-4H3,(H,22,26)
InChIKeyNMEXFXSAQPWRIJ-UHFFFAOYSA-N
XLogP3.61
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide (CID 20863194) is 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide is Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NC(C)C.
What is the InChIKey of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
The InChIKey is NMEXFXSAQPWRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-12(2)22-20(26)9-8-17-13(3)23-19-11-18(24-25(19)14(17)4)15-6-5-7-16(21)10-15/h5-7,10-12H,8-9H2,1-4H3,(H,22,26).
What are the key properties of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide has a molecular weight of 354.43 g/mol, XLogP of 3.61, 5 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-propan-2-ylpropanamide is sourced from PubChem (CID 20863194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).