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

C7H11N3O2 — CID 14877880

IUPACethyl 5-amino-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(N)n(C)n1
InChIInChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-6(8)10(2)9-5/h4H,3,8H2,1-2H3
InChIKeyKTRQSZBRYRHIKL-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.18
Rot. Bonds2

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

ethyl 5-amino-1-methylpyrazole-3-carboxylate (PubChem CID 14877880) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl 5-amino-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-methylpyrazole-3-carboxylate
PubChem CID14877880
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Nameethyl 5-amino-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(N)n(C)n1
InChIInChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-6(8)10(2)9-5/h4H,3,8H2,1-2H3
InChIKeyKTRQSZBRYRHIKL-UHFFFAOYSA-N
XLogP0.18
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.18
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
Ethyl 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 2964195
ethyl 5-amino-1H-pyrazole-3-carboxylate
CID 4321844
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 3-amino-1-methyl-1H-pyrazole-5-carboxylate hydrochloride
CID 45156843
methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate hydrochloride
CID 66643934
methyl 5-fluoro-1-methyl-1H-pyrazole-3-carboxylate
CID 121552481
ethyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 135741928
methyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 137174733
Ethyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate
CID 13248994

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-methylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-1-methylpyrazole-3-carboxylate (CID 14877880) is ethyl 5-amino-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-methylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-1-methylpyrazole-3-carboxylate is CCOC(=O)c1cc(N)n(C)n1.
What is the InChIKey of ethyl 5-amino-1-methylpyrazole-3-carboxylate?
The InChIKey is KTRQSZBRYRHIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-6(8)10(2)9-5/h4H,3,8H2,1-2H3.
What are the key properties of ethyl 5-amino-1-methylpyrazole-3-carboxylate?
ethyl 5-amino-1-methylpyrazole-3-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 14877880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).