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

C17H15N5O2 — CID 34979505

IUPAC5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc4oc(C)nc4c3)c2n1
InChIInChI=1S/C17H15N5O2/c1-9-6-10(2)22-16(19-9)13(8-18-22)17(23)21-12-4-5-15-14(7-12)20-11(3)24-15/h4-8H,1-3H3,(H,21,23)
InChIKeyJDYFUAHBRHQSGN-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.05
Rot. Bonds2

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

5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 34979505) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID34979505
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc4oc(C)nc4c3)c2n1
InChIInChI=1S/C17H15N5O2/c1-9-6-10(2)22-16(19-9)13(8-18-22)17(23)21-12-4-5-15-14(7-12)20-11(3)24-15/h4-8H,1-3H3,(H,21,23)
InChIKeyJDYFUAHBRHQSGN-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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Related Compounds

4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 166401291
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
N-[4-(1H-imidazol-2-yl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121327402
N-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17462153
5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121327325
N-(2-aminophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 43621544
5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 61292124
2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 62059208
N-[4-(3-methoxyphenyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53316074
1-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 39677997
5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34749993

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 34979505) is 5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)Nc3ccc4oc(C)nc4c3)c2n1.
What is the InChIKey of 5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JDYFUAHBRHQSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-9-6-10(2)22-16(19-9)13(8-18-22)17(23)21-12-4-5-15-14(7-12)20-11(3)24-15/h4-8H,1-3H3,(H,21,23).
What are the key properties of 5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-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 5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 34979505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).