methyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride

C5H8ClN3O2 — CID 50998527

IUPACmethyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(N)n[nH]1.Cl
InChIInChI=1S/C5H7N3O2.ClH/c1-10-5(9)3-2-4(6)8-7-3;/h2H,1H3,(H3,6,7,8);1H
InChIKeyWKSUKIUHZDWQCZ-UHFFFAOYSA-N
MW177.59 g/mol
LogP0.20
Rot. Bonds1

About methyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride

methyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride (PubChem CID 50998527) has the molecular formula C5H8ClN3O2 and a molecular weight of 177.59 g/mol. Its IUPAC name is methyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride
PubChem CID50998527
Molecular FormulaC5H8ClN3O2
Molecular Weight177.59 g/mol
Exact Mass177.03
IUPAC Namemethyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(N)n[nH]1.Cl
InChIInChI=1S/C5H7N3O2.ClH/c1-10-5(9)3-2-4(6)8-7-3;/h2H,1H3,(H3,6,7,8);1H
InChIKeyWKSUKIUHZDWQCZ-UHFFFAOYSA-N
XLogP0.20
TPSA81.00 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 ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride?
The IUPAC name of methyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride (CID 50998527) is methyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride is COC(=O)c1cc(N)n[nH]1.Cl.
What is the InChIKey of methyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride?
The InChIKey is WKSUKIUHZDWQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.ClH/c1-10-5(9)3-2-4(6)8-7-3;/h2H,1H3,(H3,6,7,8);1H.
What are the key properties of methyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride?
methyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride has a molecular weight of 177.59 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 50998527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).