2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C14H11N3O3 — CID 82371025

IUPAC2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOc1cccc(-c2cc3ncc(C(=O)O)cn3n2)c1
InChIInChI=1S/C14H11N3O3/c1-20-11-4-2-3-9(5-11)12-6-13-15-7-10(14(18)19)8-17(13)16-12/h2-8H,1H3,(H,18,19)
InChIKeyVEHCYQFWXXFWFP-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.10
Rot. Bonds3

About 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 82371025) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID82371025
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOc1cccc(-c2cc3ncc(C(=O)O)cn3n2)c1
InChIInChI=1S/C14H11N3O3/c1-20-11-4-2-3-9(5-11)12-6-13-15-7-10(14(18)19)8-17(13)16-12/h2-8H,1H3,(H,18,19)
InChIKeyVEHCYQFWXXFWFP-UHFFFAOYSA-N
XLogP2.10
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371033
2-(4-methoxy-2,6-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371047
5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 46785031
3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol
CID 84690404
1-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243153
N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 58243240
2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 156508030
1-tert-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 39095997
(6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone
CID 134803037
2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 11023968
3-(1-methylimidazol-4-yl)benzoic acid
CID 82608062

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 82371025) is 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is COc1cccc(-c2cc3ncc(C(=O)O)cn3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is VEHCYQFWXXFWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-11-4-2-3-9(5-11)12-6-13-15-7-10(14(18)19)8-17(13)16-12/h2-8H,1H3,(H,18,19).
What are the key properties of 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 82371025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).