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

C21H25FN4O — CID 134131752

IUPAC2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide
SMILESCc1cc(C)n2nc(-c3ccc(CCCF)cc3)c(CC(=O)N(C)C)c2n1
InChIInChI=1S/C21H25FN4O/c1-14-12-15(2)26-21(23-14)18(13-19(27)25(3)4)20(24-26)17-9-7-16(8-10-17)6-5-11-22/h7-10,12H,5-6,11,13H2,1-4H3
InChIKeyZSOLQDPPCUMXOB-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.55
Rot. Bonds6

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

2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide (PubChem CID 134131752) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide
PubChem CID134131752
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide
SMILESCc1cc(C)n2nc(-c3ccc(CCCF)cc3)c(CC(=O)N(C)C)c2n1
InChIInChI=1S/C21H25FN4O/c1-14-12-15(2)26-21(23-14)18(13-19(27)25(3)4)20(24-26)17-9-7-16(8-10-17)6-5-11-22/h7-10,12H,5-6,11,13H2,1-4H3
InChIKeyZSOLQDPPCUMXOB-UHFFFAOYSA-N
XLogP3.55
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.55
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,N-dimethylacetamide?
The IUPAC name of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide (CID 134131752) is 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide is Cc1cc(C)n2nc(-c3ccc(CCCF)cc3)c(CC(=O)N(C)C)c2n1.
What is the InChIKey of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide?
The InChIKey is ZSOLQDPPCUMXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-14-12-15(2)26-21(23-14)18(13-19(27)25(3)4)20(24-26)17-9-7-16(8-10-17)6-5-11-22/h7-10,12H,5-6,11,13H2,1-4H3.
What are the key properties of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide?
2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide has a molecular weight of 368.46 g/mol, XLogP of 3.55, 6 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,N-dimethylacetamide is sourced from PubChem (CID 134131752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).