N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide

C21H25FN4O — CID 68752933

IUPACN-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide
SMILESCc1cc(C)n2nc(NC(=O)CC(C)(C)C)c(-c3ccc(F)c(C)c3)c2n1
InChIInChI=1S/C21H25FN4O/c1-12-9-15(7-8-16(12)22)18-19(24-17(27)11-21(4,5)6)25-26-14(3)10-13(2)23-20(18)26/h7-10H,11H2,1-6H3,(H,24,25,27)
InChIKeyXFNIBZMMXGVCKP-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.84
Rot. Bonds3

About N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide

N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide (PubChem CID 68752933) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide
PubChem CID68752933
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC NameN-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide
SMILESCc1cc(C)n2nc(NC(=O)CC(C)(C)C)c(-c3ccc(F)c(C)c3)c2n1
InChIInChI=1S/C21H25FN4O/c1-12-9-15(7-8-16(12)22)18-19(24-17(27)11-21(4,5)6)25-26-14(3)10-13(2)23-20(18)26/h7-10H,11H2,1-6H3,(H,24,25,27)
InChIKeyXFNIBZMMXGVCKP-UHFFFAOYSA-N
XLogP4.84
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide (CID 68752933) is N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide is Cc1cc(C)n2nc(NC(=O)CC(C)(C)C)c(-c3ccc(F)c(C)c3)c2n1.
What is the InChIKey of N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is XFNIBZMMXGVCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-12-9-15(7-8-16(12)22)18-19(24-17(27)11-21(4,5)6)25-26-14(3)10-13(2)23-20(18)26/h7-10H,11H2,1-6H3,(H,24,25,27).
What are the key properties of N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide?
N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 368.46 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 68752933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).