ethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride

C7H12ClN3O2 — CID 45156843

IUPACethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc(N)nn1C.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-3-12-7(11)5-4-6(8)9-10(5)2;/h4H,3H2,1-2H3,(H2,8,9);1H
InChIKeyAVGAXPOOROQXLY-UHFFFAOYSA-N
MW205.65 g/mol
LogP0.60
Rot. Bonds2

About ethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride

ethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride (PubChem CID 45156843) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is ethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride
PubChem CID45156843
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Nameethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc(N)nn1C.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-3-12-7(11)5-4-6(8)9-10(5)2;/h4H,3H2,1-2H3,(H2,8,9);1H
InChIKeyAVGAXPOOROQXLY-UHFFFAOYSA-N
XLogP0.60
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate
CID 13248993
3-amino-1-methyl-1H-pyrazole-5-carboxylic acid
CID 5325687
5-amino-1-methyl-1H-pyrazole-3-carboxylic acid
CID 5325688
methyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate
CID 13324840
ethyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate
CID 14877880
methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate hydrochloride
CID 66643934
ethyl 3-bromo-1-methyl-1H-pyrazole-5-carboxylate
CID 131103850
ethyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 135741928
Ethyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate
CID 13248994
3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate
CID 11287330
Ethyl 1-methyl-1H-pyrazole-5-carboxylate
CID 21784698
1H-Pyrazole-5-carboxylic acid,3'-(carbonyldiimino)bis-[1-methyl-, bis methyl ester
CID 45028386

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride (CID 45156843) is ethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride is CCOC(=O)c1cc(N)nn1C.Cl.
What is the InChIKey of ethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride?
The InChIKey is AVGAXPOOROQXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-3-12-7(11)5-4-6(8)9-10(5)2;/h4H,3H2,1-2H3,(H2,8,9);1H.
What are the key properties of ethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride?
ethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride has a molecular weight of 205.65 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 45156843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).