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

C10H15N3O2 — CID 105462820

IUPACethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]nc(N)c1C1CCC1
InChIInChI=1S/C10H15N3O2/c1-2-15-10(14)8-7(6-4-3-5-6)9(11)13-12-8/h6H,2-5H2,1H3,(H3,11,12,13)
InChIKeyFWFFEVWUWITSQS-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.44
Rot. Bonds3

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

ethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate (PubChem CID 105462820) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate
PubChem CID105462820
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]nc(N)c1C1CCC1
InChIInChI=1S/C10H15N3O2/c1-2-15-10(14)8-7(6-4-3-5-6)9(11)13-12-8/h6H,2-5H2,1H3,(H3,11,12,13)
InChIKeyFWFFEVWUWITSQS-UHFFFAOYSA-N
XLogP1.44
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 3-(4-cyclohexylphenyl)-1H-pyrazole-5-carboxylate
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ethyl 4-methyl-3-(oxan-2-yloxy)-1H-pyrazole-5-carboxylate
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5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
CID 162018519
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate (CID 105462820) is ethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate is CCOC(=O)c1[nH]nc(N)c1C1CCC1.
What is the InChIKey of ethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate?
The InChIKey is FWFFEVWUWITSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-15-10(14)8-7(6-4-3-5-6)9(11)13-12-8/h6H,2-5H2,1H3,(H3,11,12,13).
What are the key properties of ethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate?
ethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 105462820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).