4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid

C10H8BrN3O2 — CID 13303411

IUPAC4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid
SMILESNc1c(-c2ccc(Br)cc2)n[nH]c1C(=O)O
InChIInChI=1S/C10H8BrN3O2/c11-6-3-1-5(2-4-6)8-7(12)9(10(15)16)14-13-8/h1-4H,12H2,(H,13,14)(H,15,16)
InChIKeySDVKXQGXGYWWQS-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.12
Rot. Bonds2

About 4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid

4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 13303411) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID13303411
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid
SMILESNc1c(-c2ccc(Br)cc2)n[nH]c1C(=O)O
InChIInChI=1S/C10H8BrN3O2/c11-6-3-1-5(2-4-6)8-7(12)9(10(15)16)14-13-8/h1-4H,12H2,(H,13,14)(H,15,16)
InChIKeySDVKXQGXGYWWQS-UHFFFAOYSA-N
XLogP2.12
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (CID 13303411) is 4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid is Nc1c(-c2ccc(Br)cc2)n[nH]c1C(=O)O.
What is the InChIKey of 4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is SDVKXQGXGYWWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c11-6-3-1-5(2-4-6)8-7(12)9(10(15)16)14-13-8/h1-4H,12H2,(H,13,14)(H,15,16).
What are the key properties of 4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid?
4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 282.10 g/mol, XLogP of 2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 13303411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).