5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid

C11H11N3O3 — CID 3586349

IUPAC5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2ncc(C(=O)O)c2N)cc1
InChIInChI=1S/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-10(12)9(6-13-14)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChIKeyXOMCPZHFKFCRLB-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.16
Rot. Bonds3

About 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid

5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid (PubChem CID 3586349) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
PubChem CID3586349
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2ncc(C(=O)O)c2N)cc1
InChIInChI=1S/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-10(12)9(6-13-14)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChIKeyXOMCPZHFKFCRLB-UHFFFAOYSA-N
XLogP1.16
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid (CID 3586349) is 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid is COc1ccc(-n2ncc(C(=O)O)c2N)cc1.
What is the InChIKey of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid?
The InChIKey is XOMCPZHFKFCRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-10(12)9(6-13-14)11(15)16/h2-6H,12H2,1H3,(H,15,16).
What are the key properties of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid?
5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 3586349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).