2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide

C23H29FN4O — CID 134149469

IUPAC2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)Cc1c(-c2ccc(CCCF)cc2)nn2c(C)cc(C)nc12
InChIInChI=1S/C23H29FN4O/c1-5-13-27(4)21(29)15-20-22(19-10-8-18(9-11-19)7-6-12-24)26-28-17(3)14-16(2)25-23(20)28/h8-11,14H,5-7,12-13,15H2,1-4H3
InChIKeyFJHVOGREXFWSNE-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.33
Rot. Bonds8

About 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide

2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide (PubChem CID 134149469) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide
PubChem CID134149469
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC Name2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)Cc1c(-c2ccc(CCCF)cc2)nn2c(C)cc(C)nc12
InChIInChI=1S/C23H29FN4O/c1-5-13-27(4)21(29)15-20-22(19-10-8-18(9-11-19)7-6-12-24)26-28-17(3)14-16(2)25-23(20)28/h8-11,14H,5-7,12-13,15H2,1-4H3
InChIKeyFJHVOGREXFWSNE-UHFFFAOYSA-N
XLogP4.33
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide?
The IUPAC name of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide (CID 134149469) is 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide?
The canonical SMILES for 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide is CCCN(C)C(=O)Cc1c(-c2ccc(CCCF)cc2)nn2c(C)cc(C)nc12.
What is the InChIKey of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide?
The InChIKey is FJHVOGREXFWSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O/c1-5-13-27(4)21(29)15-20-22(19-10-8-18(9-11-19)7-6-12-24)26-28-17(3)14-16(2)25-23(20)28/h8-11,14H,5-7,12-13,15H2,1-4H3.
What are the key properties of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide?
2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide has a molecular weight of 396.51 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide is sourced from PubChem (CID 134149469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).