3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide

C4H5Br2N3O2 — CID 138991095

IUPAC3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide
SMILESBr.Nc1n[nH]c(C(=O)O)c1Br
InChIInChI=1S/C4H4BrN3O2.BrH/c5-1-2(4(9)10)7-8-3(1)6;/h(H,9,10)(H3,6,7,8);1H
InChIKeyBLTLUACDXBUFHN-UHFFFAOYSA-N
MW286.91 g/mol
LogP1.03
Rot. Bonds1

About 3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide

3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide (PubChem CID 138991095) has the molecular formula C4H5Br2N3O2 and a molecular weight of 286.91 g/mol. Its IUPAC name is 3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide
PubChem CID138991095
Molecular FormulaC4H5Br2N3O2
Molecular Weight286.91 g/mol
Exact Mass284.87
IUPAC Name3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide
SMILESBr.Nc1n[nH]c(C(=O)O)c1Br
InChIInChI=1S/C4H4BrN3O2.BrH/c5-1-2(4(9)10)7-8-3(1)6;/h(H,9,10)(H3,6,7,8);1H
InChIKeyBLTLUACDXBUFHN-UHFFFAOYSA-N
XLogP1.03
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.91
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide?
The IUPAC name of 3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide (CID 138991095) is 3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide.
What is the SMILES notation for 3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide?
The canonical SMILES for 3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide is Br.Nc1n[nH]c(C(=O)O)c1Br.
What is the InChIKey of 3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide?
The InChIKey is BLTLUACDXBUFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN3O2.BrH/c5-1-2(4(9)10)7-8-3(1)6;/h(H,9,10)(H3,6,7,8);1H.
What are the key properties of 3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide?
3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide has a molecular weight of 286.91 g/mol, XLogP of 1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-1H-pyrazole-5-carboxylic acid;hydrobromide is sourced from PubChem (CID 138991095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).