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

C22H18N4O3 — CID 1103628

IUPACmethyl 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1
InChIInChI=1S/C22H18N4O3/c1-14-12-18(15-8-4-3-5-9-15)23-20-13-19(25-26(14)20)21(27)24-17-11-7-6-10-16(17)22(28)29-2/h3-13H,1-2H3,(H,24,27)
InChIKeyFXBQQLUBHYFWEG-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.74
Rot. Bonds4

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

methyl 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate (PubChem CID 1103628) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is methyl 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
PubChem CID1103628
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Namemethyl 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1
InChIInChI=1S/C22H18N4O3/c1-14-12-18(15-8-4-3-5-9-15)23-20-13-19(25-26(14)20)21(27)24-17-11-7-6-10-16(17)22(28)29-2/h3-13H,1-2H3,(H,24,27)
InChIKeyFXBQQLUBHYFWEG-UHFFFAOYSA-N
XLogP3.74
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate (CID 1103628) is methyl 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1.
What is the InChIKey of methyl 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
The InChIKey is FXBQQLUBHYFWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-14-12-18(15-8-4-3-5-9-15)23-20-13-19(25-26(14)20)21(27)24-17-11-7-6-10-16(17)22(28)29-2/h3-13H,1-2H3,(H,24,27).
What are the key properties of methyl 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
methyl 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate has a molecular weight of 386.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 1103628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).