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

C21H25FN4O — CID 20863196

IUPACN-butan-2-yl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCCC(C)NC(=O)CCc1c(C)nc2cc(-c3cccc(F)c3)nn2c1C
InChIInChI=1S/C21H25FN4O/c1-5-13(2)23-21(27)10-9-18-14(3)24-20-12-19(25-26(20)15(18)4)16-7-6-8-17(22)11-16/h6-8,11-13H,5,9-10H2,1-4H3,(H,23,27)
InChIKeyNSOYCGVBXFWEBI-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.00
Rot. Bonds6

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

N-butan-2-yl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 20863196) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is N-butan-2-yl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID20863196
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC NameN-butan-2-yl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCCC(C)NC(=O)CCc1c(C)nc2cc(-c3cccc(F)c3)nn2c1C
InChIInChI=1S/C21H25FN4O/c1-5-13(2)23-21(27)10-9-18-14(3)24-20-12-19(25-26(20)15(18)4)16-7-6-8-17(22)11-16/h6-8,11-13H,5,9-10H2,1-4H3,(H,23,27)
InChIKeyNSOYCGVBXFWEBI-UHFFFAOYSA-N
XLogP4.00
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-butan-2-yl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 20863196) is N-butan-2-yl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-butan-2-yl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide is CCC(C)NC(=O)CCc1c(C)nc2cc(-c3cccc(F)c3)nn2c1C.
What is the InChIKey of N-butan-2-yl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is NSOYCGVBXFWEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-5-13(2)23-21(27)10-9-18-14(3)24-20-12-19(25-26(20)15(18)4)16-7-6-8-17(22)11-16/h6-8,11-13H,5,9-10H2,1-4H3,(H,23,27).
What are the key properties of N-butan-2-yl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-butan-2-yl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 368.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 20863196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).