3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide

C19H22N4O — CID 68752120

IUPAC3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide
SMILESCc1cnc2c(-c3ccccc3)c(NC(=O)CC(C)(C)C)nn2c1
InChIInChI=1S/C19H22N4O/c1-13-11-20-18-16(14-8-6-5-7-9-14)17(22-23(18)12-13)21-15(24)10-19(2,3)4/h5-9,11-12H,10H2,1-4H3,(H,21,22,24)
InChIKeyXEPXFFUJNYCFAI-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.08
Rot. Bonds3

About 3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide

3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide (PubChem CID 68752120) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide
PubChem CID68752120
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide
SMILESCc1cnc2c(-c3ccccc3)c(NC(=O)CC(C)(C)C)nn2c1
InChIInChI=1S/C19H22N4O/c1-13-11-20-18-16(14-8-6-5-7-9-14)17(22-23(18)12-13)21-15(24)10-19(2,3)4/h5-9,11-12H,10H2,1-4H3,(H,21,22,24)
InChIKeyXEPXFFUJNYCFAI-UHFFFAOYSA-N
XLogP4.08
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide (CID 68752120) is 3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide is Cc1cnc2c(-c3ccccc3)c(NC(=O)CC(C)(C)C)nn2c1.
What is the InChIKey of 3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide?
The InChIKey is XEPXFFUJNYCFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-11-20-18-16(14-8-6-5-7-9-14)17(22-23(18)12-13)21-15(24)10-19(2,3)4/h5-9,11-12H,10H2,1-4H3,(H,21,22,24).
What are the key properties of 3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide?
3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide has a molecular weight of 322.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide is sourced from PubChem (CID 68752120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).