2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C17H15N5O2 — CID 24641534

IUPAC2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)Nc3ccc4oc(C)nc4c3)c(C)n2n1
InChIInChI=1S/C17H15N5O2/c1-9-6-16-18-8-13(10(2)22(16)21-9)17(23)20-12-4-5-15-14(7-12)19-11(3)24-15/h4-8H,1-3H3,(H,20,23)
InChIKeySXJNTZAWDULBDC-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.05
Rot. Bonds2

About 2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 24641534) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID24641534
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)Nc3ccc4oc(C)nc4c3)c(C)n2n1
InChIInChI=1S/C17H15N5O2/c1-9-6-16-18-8-13(10(2)22(16)21-9)17(23)20-12-4-5-15-14(7-12)19-11(3)24-15/h4-8H,1-3H3,(H,20,23)
InChIKeySXJNTZAWDULBDC-UHFFFAOYSA-N
XLogP3.05
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 24641534) is 2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)Nc3ccc4oc(C)nc4c3)c(C)n2n1.
What is the InChIKey of 2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SXJNTZAWDULBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-9-6-16-18-8-13(10(2)22(16)21-9)17(23)20-12-4-5-15-14(7-12)19-11(3)24-15/h4-8H,1-3H3,(H,20,23).
What are the key properties of 2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 24641534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).