ethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride

C6H10ClN3O2 — CID 45156244

IUPACethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1[nH]ncc1N.Cl
InChIInChI=1S/C6H9N3O2.ClH/c1-2-11-6(10)5-4(7)3-8-9-5;/h3H,2,7H2,1H3,(H,8,9);1H
InChIKeyCHWXQJCIWUXTSC-UHFFFAOYSA-N
MW191.62 g/mol
LogP0.59
Rot. Bonds2

About ethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride

ethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride (PubChem CID 45156244) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is ethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride
PubChem CID45156244
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Nameethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1[nH]ncc1N.Cl
InChIInChI=1S/C6H9N3O2.ClH/c1-2-11-6(10)5-4(7)3-8-9-5;/h3H,2,7H2,1H3,(H,8,9);1H
InChIKeyCHWXQJCIWUXTSC-UHFFFAOYSA-N
XLogP0.59
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride (CID 45156244) is ethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride is CCOC(=O)c1[nH]ncc1N.Cl.
What is the InChIKey of ethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride?
The InChIKey is CHWXQJCIWUXTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c1-2-11-6(10)5-4(7)3-8-9-5;/h3H,2,7H2,1H3,(H,8,9);1H.
What are the key properties of ethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride?
ethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 45156244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).