4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride

C4H6ClN3O2 — CID 53444512

IUPAC4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride
SMILESCl.Nc1cn[nH]c1C(=O)O
InChIInChI=1S/C4H5N3O2.ClH/c5-2-1-6-7-3(2)4(8)9;/h1H,5H2,(H,6,7)(H,8,9);1H
InChIKeyXCUMKBFRBYAOFD-UHFFFAOYSA-N
MW163.56 g/mol
LogP0.11
Rot. Bonds1

About 4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride

4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride (PubChem CID 53444512) has the molecular formula C4H6ClN3O2 and a molecular weight of 163.56 g/mol. Its IUPAC name is 4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride
PubChem CID53444512
Molecular FormulaC4H6ClN3O2
Molecular Weight163.56 g/mol
Exact Mass163.01
IUPAC Name4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride
SMILESCl.Nc1cn[nH]c1C(=O)O
InChIInChI=1S/C4H5N3O2.ClH/c5-2-1-6-7-3(2)4(8)9;/h1H,5H2,(H,6,7)(H,8,9);1H
InChIKeyXCUMKBFRBYAOFD-UHFFFAOYSA-N
XLogP0.11
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.56
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride (CID 53444512) is 4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride is Cl.Nc1cn[nH]c1C(=O)O.
What is the InChIKey of 4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride?
The InChIKey is XCUMKBFRBYAOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2.ClH/c5-2-1-6-7-3(2)4(8)9;/h1H,5H2,(H,6,7)(H,8,9);1H.
What are the key properties of 4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride?
4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride has a molecular weight of 163.56 g/mol, XLogP of 0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1H-pyrazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 53444512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).