N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide

C20H20N6O — CID 155919058

IUPACN-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n2nc(NC(=O)c3cccc(-n4nc(C)cc4C)c3)cc2n1
InChIInChI=1S/C20H20N6O/c1-12-8-15(4)26-19(21-12)11-18(24-26)22-20(27)16-6-5-7-17(10-16)25-14(3)9-13(2)23-25/h5-11H,1-4H3,(H,22,24,27)
InChIKeyCSCNNARAUADPHZ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.40
Rot. Bonds3

About N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide

N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 155919058) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID155919058
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n2nc(NC(=O)c3cccc(-n4nc(C)cc4C)c3)cc2n1
InChIInChI=1S/C20H20N6O/c1-12-8-15(4)26-19(21-12)11-18(24-26)22-20(27)16-6-5-7-17(10-16)25-14(3)9-13(2)23-25/h5-11H,1-4H3,(H,22,24,27)
InChIKeyCSCNNARAUADPHZ-UHFFFAOYSA-N
XLogP3.40
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide (CID 155919058) is N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n2nc(NC(=O)c3cccc(-n4nc(C)cc4C)c3)cc2n1.
What is the InChIKey of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is CSCNNARAUADPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-12-8-15(4)26-19(21-12)11-18(24-26)22-20(27)16-6-5-7-17(10-16)25-14(3)9-13(2)23-25/h5-11H,1-4H3,(H,22,24,27).
What are the key properties of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 360.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 155919058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).