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

C4H6ClN3O2 — CID 16640632

IUPAC3-amino-1H-pyrazole-5-carboxylic acid;hydrochloride
SMILESCl.Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C4H5N3O2.ClH/c5-3-1-2(4(8)9)6-7-3;/h1H,(H,8,9)(H3,5,6,7);1H
InChIKeyWFTUQBROQVCLGE-UHFFFAOYSA-N
MW163.56 g/mol
LogP0.11
Rot. Bonds1

About 3-amino-1H-pyrazole-5-carboxylic acid;hydrochloride

3-amino-1H-pyrazole-5-carboxylic acid;hydrochloride (PubChem CID 16640632) has the molecular formula C4H6ClN3O2 and a molecular weight of 163.56 g/mol. Its IUPAC name is 3-amino-1H-pyrazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-1H-pyrazole-5-carboxylic acid;hydrochloride
PubChem CID16640632
Molecular FormulaC4H6ClN3O2
Molecular Weight163.56 g/mol
Exact Mass163.01
IUPAC Name3-amino-1H-pyrazole-5-carboxylic acid;hydrochloride
SMILESCl.Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C4H5N3O2.ClH/c5-3-1-2(4(8)9)6-7-3;/h1H,(H,8,9)(H3,5,6,7);1H
InChIKeyWFTUQBROQVCLGE-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 3-amino-1H-pyrazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 3-amino-1H-pyrazole-5-carboxylic acid;hydrochloride (CID 16640632) is 3-amino-1H-pyrazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-amino-1H-pyrazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 3-amino-1H-pyrazole-5-carboxylic acid;hydrochloride is Cl.Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-amino-1H-pyrazole-5-carboxylic acid;hydrochloride?
The InChIKey is WFTUQBROQVCLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2.ClH/c5-3-1-2(4(8)9)6-7-3;/h1H,(H,8,9)(H3,5,6,7);1H.
What are the key properties of 3-amino-1H-pyrazole-5-carboxylic acid;hydrochloride?
3-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 3-amino-1H-pyrazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 16640632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).