methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

C15H14N4O3 — CID 53367635

IUPACmethyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2c(-c3ccc(OC)cc3)cnn2c1N
InChIInChI=1S/C15H14N4O3/c1-21-10-5-3-9(4-6-10)11-8-18-19-13(16)12(15(20)22-2)7-17-14(11)19/h3-8H,16H2,1-2H3
InChIKeyMQBAWDSGGUZIQP-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.77
Rot. Bonds3

About methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 53367635) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID53367635
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Namemethyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2c(-c3ccc(OC)cc3)cnn2c1N
InChIInChI=1S/C15H14N4O3/c1-21-10-5-3-9(4-6-10)11-8-18-19-13(16)12(15(20)22-2)7-17-14(11)19/h3-8H,16H2,1-2H3
InChIKeyMQBAWDSGGUZIQP-UHFFFAOYSA-N
XLogP1.77
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1481755
[3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865298
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865296
3-(4-fluorophenyl)-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865277
methyl 2-amino-3-(4-methoxyphenyl)benzoate
CID 171919931
7-amino-3-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 53370765
methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 28935045
methyl 4-chloro-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
CID 82169044
methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate
CID 66506033
7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15957960
7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 164575690
methyl 5-(4-methoxyphenyl)pyrazine-2-carboxylate
CID 91754327

Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 53367635) is methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is COC(=O)c1cnc2c(-c3ccc(OC)cc3)cnn2c1N.
What is the InChIKey of methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is MQBAWDSGGUZIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-21-10-5-3-9(4-6-10)11-8-18-19-13(16)12(15(20)22-2)7-17-14(11)19/h3-8H,16H2,1-2H3.
What are the key properties of methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 53367635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).