N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide

C18H19FN4O — CID 68750421

IUPACN-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nn2cccnc2c1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN4O/c1-18(2,3)11-14(24)21-16-15(12-5-7-13(19)8-6-12)17-20-9-4-10-23(17)22-16/h4-10H,11H2,1-3H3,(H,21,22,24)
InChIKeyPPOGGVLGMKLLBA-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.91
Rot. Bonds3

About N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide

N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide (PubChem CID 68750421) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide
PubChem CID68750421
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nn2cccnc2c1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN4O/c1-18(2,3)11-14(24)21-16-15(12-5-7-13(19)8-6-12)17-20-9-4-10-23(17)22-16/h4-10H,11H2,1-3H3,(H,21,22,24)
InChIKeyPPOGGVLGMKLLBA-UHFFFAOYSA-N
XLogP3.91
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide (CID 68750421) is N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nn2cccnc2c1-c1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is PPOGGVLGMKLLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-18(2,3)11-14(24)21-16-15(12-5-7-13(19)8-6-12)17-20-9-4-10-23(17)22-16/h4-10H,11H2,1-3H3,(H,21,22,24).
What are the key properties of N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide?
N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 326.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 68750421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).