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

C7H11N3O2 — CID 683559

IUPACethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(N)n[nH]c1C
InChIInChI=1S/C7H11N3O2/c1-3-12-7(11)5-4(2)9-10-6(5)8/h3H2,1-2H3,(H3,8,9,10)
InChIKeyWOCMIZZYXHVSPS-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.48
Rot. Bonds2

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

ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate (PubChem CID 683559) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate
PubChem CID683559
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Nameethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(N)n[nH]c1C
InChIInChI=1S/C7H11N3O2/c1-3-12-7(11)5-4(2)9-10-6(5)8/h3H2,1-2H3,(H3,8,9,10)
InChIKeyWOCMIZZYXHVSPS-UHFFFAOYSA-N
XLogP0.48
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.48
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?
The IUPAC name of ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate (CID 683559) is ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate is CCOC(=O)c1c(N)n[nH]c1C.
What is the InChIKey of ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate?
The InChIKey is WOCMIZZYXHVSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4(2)9-10-6(5)8/h3H2,1-2H3,(H3,8,9,10).
What are the key properties of ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate?
ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 0.48, 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 is sourced from PubChem (CID 683559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).