2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide

C19H22N4O — CID 23603999

IUPAC2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide
SMILESCc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)NC(C)C
InChIInChI=1S/C19H22N4O/c1-12(2)20-19(24)10-16-13(3)21-18-11-17(22-23(18)14(16)4)15-8-6-5-7-9-15/h5-9,11-12H,10H2,1-4H3,(H,20,24)
InChIKeyALJFCNLMFOEPLG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.08
Rot. Bonds4

About 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide

2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide (PubChem CID 23603999) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide
PubChem CID23603999
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide
SMILESCc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)NC(C)C
InChIInChI=1S/C19H22N4O/c1-12(2)20-19(24)10-16-13(3)21-18-11-17(22-23(18)14(16)4)15-8-6-5-7-9-15/h5-9,11-12H,10H2,1-4H3,(H,20,24)
InChIKeyALJFCNLMFOEPLG-UHFFFAOYSA-N
XLogP3.08
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide (CID 23603999) is 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide is Cc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)NC(C)C.
What is the InChIKey of 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide?
The InChIKey is ALJFCNLMFOEPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12(2)20-19(24)10-16-13(3)21-18-11-17(22-23(18)14(16)4)15-8-6-5-7-9-15/h5-9,11-12H,10H2,1-4H3,(H,20,24).
What are the key properties of 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide?
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide has a molecular weight of 322.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 23603999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).