methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate

C17H16N4O3 — CID 53041004

IUPACmethyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(C)n3nc(C)cc3n2)c1
InChIInChI=1S/C17H16N4O3/c1-10-7-15-19-14(8-11(2)21(15)20-10)16(22)18-13-6-4-5-12(9-13)17(23)24-3/h4-9H,1-3H3,(H,18,22)
InChIKeySJYFRVULXDDRFS-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.39
Rot. Bonds3

About methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate

methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate (PubChem CID 53041004) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate
PubChem CID53041004
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Namemethyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(C)n3nc(C)cc3n2)c1
InChIInChI=1S/C17H16N4O3/c1-10-7-15-19-14(8-11(2)21(15)20-10)16(22)18-13-6-4-5-12(9-13)17(23)24-3/h4-9H,1-3H3,(H,18,22)
InChIKeySJYFRVULXDDRFS-UHFFFAOYSA-N
XLogP2.39
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110857591
methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate
CID 110681637
N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040999
N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110863263
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
methyl 3-[[6-(3-chloroanilino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 112850075
methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate
CID 110650614
methyl 3-(pyrimidine-4-carbonylamino)benzoate
CID 110699213
methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109334170
methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109099195
methyl 3-[[6-methyl-2-(prop-2-enylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109320177

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate (CID 53041004) is methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc(C)n3nc(C)cc3n2)c1.
What is the InChIKey of methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate?
The InChIKey is SJYFRVULXDDRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-7-15-19-14(8-11(2)21(15)20-10)16(22)18-13-6-4-5-12(9-13)17(23)24-3/h4-9H,1-3H3,(H,18,22).
What are the key properties of methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate?
methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate has a molecular weight of 324.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate is sourced from PubChem (CID 53041004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).