5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H18N4O — CID 1097838

IUPAC5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCCc3ccccc3)c2n1
InChIInChI=1S/C17H18N4O/c1-12-10-13(2)21-16(20-12)15(11-19-21)17(22)18-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,18,22)
InChIKeyRFCXVRMMIQPPCS-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.32
Rot. Bonds4

About 5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1097838) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1097838
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCCc3ccccc3)c2n1
InChIInChI=1S/C17H18N4O/c1-12-10-13(2)21-16(20-12)15(11-19-21)17(22)18-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,18,22)
InChIKeyRFCXVRMMIQPPCS-UHFFFAOYSA-N
XLogP2.32
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1097838) is 5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)NCCc3ccccc3)c2n1.
What is the InChIKey of 5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RFCXVRMMIQPPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-10-13(2)21-16(20-12)15(11-19-21)17(22)18-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,18,22).
What are the key properties of 5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1097838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).