7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C14H11N3O3 — CID 6485367

IUPAC7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1ccc(-c2ccnc3c(C(=O)O)cnn23)cc1
InChIInChI=1S/C14H11N3O3/c1-20-10-4-2-9(3-5-10)12-6-7-15-13-11(14(18)19)8-16-17(12)13/h2-8H,1H3,(H,18,19)
InChIKeyMFLRCDKBPXHRHW-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.10
Rot. Bonds3

About 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 6485367) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID6485367
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1ccc(-c2ccnc3c(C(=O)O)cnn23)cc1
InChIInChI=1S/C14H11N3O3/c1-20-10-4-2-9(3-5-10)12-6-7-15-13-11(14(18)19)8-16-17(12)13/h2-8H,1H3,(H,18,19)
InChIKeyMFLRCDKBPXHRHW-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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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 6485367) is 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COc1ccc(-c2ccnc3c(C(=O)O)cnn23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is MFLRCDKBPXHRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-10-4-2-9(3-5-10)12-6-7-15-13-11(14(18)19)8-16-17(12)13/h2-8H,1H3,(H,18,19).
What are the key properties of 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-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 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 6485367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).