4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride

C5H8ClN3O2 — CID 44630862

IUPAC4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride
SMILESCl.Cn1ncc(N)c1C(=O)O
InChIInChI=1S/C5H7N3O2.ClH/c1-8-4(5(9)10)3(6)2-7-8;/h2H,6H2,1H3,(H,9,10);1H
InChIKeyMIFNDSYYKBHUMK-UHFFFAOYSA-N
MW177.59 g/mol
LogP0.12
Rot. Bonds1

About 4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride

4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride (PubChem CID 44630862) has the molecular formula C5H8ClN3O2 and a molecular weight of 177.59 g/mol. Its IUPAC name is 4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride
PubChem CID44630862
Molecular FormulaC5H8ClN3O2
Molecular Weight177.59 g/mol
Exact Mass177.03
IUPAC Name4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride
SMILESCl.Cn1ncc(N)c1C(=O)O
InChIInChI=1S/C5H7N3O2.ClH/c1-8-4(5(9)10)3(6)2-7-8;/h2H,6H2,1H3,(H,9,10);1H
InChIKeyMIFNDSYYKBHUMK-UHFFFAOYSA-N
XLogP0.12
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride (CID 44630862) is 4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride is Cl.Cn1ncc(N)c1C(=O)O.
What is the InChIKey of 4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride?
The InChIKey is MIFNDSYYKBHUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.ClH/c1-8-4(5(9)10)3(6)2-7-8;/h2H,6H2,1H3,(H,9,10);1H.
What are the key properties of 4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride?
4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride has a molecular weight of 177.59 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 44630862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).