ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride

C7H12ClN3O2 — CID 12798359

IUPACethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(N)n[nH]c1C.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-3-12-7(11)5-4(2)9-10-6(5)8;/h3H2,1-2H3,(H3,8,9,10);1H
InChIKeyJVGQUXHKOYALON-UHFFFAOYSA-N
MW205.64 g/mol
LogP0.90
Rot. Bonds2

About ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride

ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride (PubChem CID 12798359) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.64 g/mol. Its IUPAC name is ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride
PubChem CID12798359
Molecular FormulaC7H12ClN3O2
Molecular Weight205.64 g/mol
Exact Mass205.06
IUPAC Nameethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(N)n[nH]c1C.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-3-12-7(11)5-4(2)9-10-6(5)8;/h3H2,1-2H3,(H3,8,9,10);1H
InChIKeyJVGQUXHKOYALON-UHFFFAOYSA-N
XLogP0.90
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride (CID 12798359) is ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride is CCOC(=O)c1c(N)n[nH]c1C.Cl.
What is the InChIKey of ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride?
The InChIKey is JVGQUXHKOYALON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-3-12-7(11)5-4(2)9-10-6(5)8;/h3H2,1-2H3,(H3,8,9,10);1H.
What are the key properties of ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride?
ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 12798359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).