5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C16H15N3O4 — CID 131986699

IUPAC5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOCc1cc(-c2cccc(OC)c2)n2ncc(C(=O)O)c2n1
InChIInChI=1S/C16H15N3O4/c1-22-9-11-7-14(10-4-3-5-12(6-10)23-2)19-15(18-11)13(8-17-19)16(20)21/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyRCUXFTIIWITUQD-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.25
Rot. Bonds5

About 5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 131986699) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID131986699
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOCc1cc(-c2cccc(OC)c2)n2ncc(C(=O)O)c2n1
InChIInChI=1S/C16H15N3O4/c1-22-9-11-7-14(10-4-3-5-12(6-10)23-2)19-15(18-11)13(8-17-19)16(20)21/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyRCUXFTIIWITUQD-UHFFFAOYSA-N
XLogP2.25
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46050174
ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746
7-(3-methoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050176
CID 131986712
CID 131986712
ethyl 7-(difluoromethyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4773420
5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 6971349
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074639
N-cyclohexyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050171
5-(3-methoxyphenyl)-1-methyl-2-propan-2-ylpyrrole-3-carboxylic acid
CID 82093527
(3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986843
N-[4-(3-methoxyphenyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53316074
6-(methoxymethyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 62319493

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 131986699) is 5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COCc1cc(-c2cccc(OC)c2)n2ncc(C(=O)O)c2n1.
What is the InChIKey of 5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is RCUXFTIIWITUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-22-9-11-7-14(10-4-3-5-12(6-10)23-2)19-15(18-11)13(8-17-19)16(20)21/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of 5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 313.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 131986699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).