ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride

C8H14ClN3O2 — CID 75485346

IUPACethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride
SMILESCCOC(=O)Cn1nc(C)cc1N.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-3-13-8(12)5-11-7(9)4-6(2)10-11;/h4H,3,5,9H2,1-2H3;1H
InChIKeyMJZCHUUBLXYDAZ-UHFFFAOYSA-N
MW219.67 g/mol
LogP0.76
Rot. Bonds3

About ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride

ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride (PubChem CID 75485346) has the molecular formula C8H14ClN3O2 and a molecular weight of 219.67 g/mol. Its IUPAC name is ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride
PubChem CID75485346
Molecular FormulaC8H14ClN3O2
Molecular Weight219.67 g/mol
Exact Mass219.08
IUPAC Nameethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride
SMILESCCOC(=O)Cn1nc(C)cc1N.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-3-13-8(12)5-11-7(9)4-6(2)10-11;/h4H,3,5,9H2,1-2H3;1H
InChIKeyMJZCHUUBLXYDAZ-UHFFFAOYSA-N
XLogP0.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate
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ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
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ethane;2-(2-ethoxy-2-oxoethyl)-4,5-dimethylpyrazole-3-carboxylic acid
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CID 71698444
ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate
CID 63277510
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
CID 154570049
ethyl 2-(5-methyl-3-nitropyrazol-1-yl)acetate
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2-(5-amino-3-methylpyrazol-1-yl)-1-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]ethanone
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ethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 77231410

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride?
The IUPAC name of ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride (CID 75485346) is ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride is CCOC(=O)Cn1nc(C)cc1N.Cl.
What is the InChIKey of ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride?
The InChIKey is MJZCHUUBLXYDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.ClH/c1-3-13-8(12)5-11-7(9)4-6(2)10-11;/h4H,3,5,9H2,1-2H3;1H.
What are the key properties of ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride?
ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride is sourced from PubChem (CID 75485346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).