3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide

C19H19F3N4O2 — CID 68751383

IUPAC3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide
SMILESCC(C)(C)CC(=O)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N4O2/c1-18(2,3)11-14(27)24-16-15(17-23-9-4-10-26(17)25-16)12-5-7-13(8-6-12)28-19(20,21)22/h4-10H,11H2,1-3H3,(H,24,25,27)
InChIKeyZPWMAOSJDRLCFE-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.67
Rot. Bonds4

About 3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide

3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide (PubChem CID 68751383) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide
PubChem CID68751383
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide
SMILESCC(C)(C)CC(=O)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N4O2/c1-18(2,3)11-14(27)24-16-15(17-23-9-4-10-26(17)25-16)12-5-7-13(8-6-12)28-19(20,21)22/h4-10H,11H2,1-3H3,(H,24,25,27)
InChIKeyZPWMAOSJDRLCFE-UHFFFAOYSA-N
XLogP4.67
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide (CID 68751383) is 3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide is CC(C)(C)CC(=O)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide?
The InChIKey is ZPWMAOSJDRLCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-18(2,3)11-14(27)24-16-15(17-23-9-4-10-26(17)25-16)12-5-7-13(8-6-12)28-19(20,21)22/h4-10H,11H2,1-3H3,(H,24,25,27).
What are the key properties of 3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide?
3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide has a molecular weight of 392.38 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide is sourced from PubChem (CID 68751383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).