2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

C13H21N3O2 — CID 106203640

IUPAC2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OCCC2CCC2)c1N
InChIInChI=1S/C13H21N3O2/c1-3-10-11(14)12(16(2)15-10)13(17)18-8-7-9-5-4-6-9/h9H,3-8,14H2,1-2H3
InChIKeyCPIRTIWCAHXYFC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds5

About 2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (PubChem CID 106203640) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
PubChem CID106203640
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OCCC2CCC2)c1N
InChIInChI=1S/C13H21N3O2/c1-3-10-11(14)12(16(2)15-10)13(17)18-8-7-9-5-4-6-9/h9H,3-8,14H2,1-2H3
InChIKeyCPIRTIWCAHXYFC-UHFFFAOYSA-N
XLogP1.91
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117193
5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117835
4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 106006327
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966894
[2-(diethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117841
1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66116354
4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66122803
4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide
CID 66119492
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102955052
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504933
4-amino-N-(cyclopropylmethyl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66125305
[2-(cyanomethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66119509

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The IUPAC name of 2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (CID 106203640) is 2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The canonical SMILES for 2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is CCc1nn(C)c(C(=O)OCCC2CCC2)c1N.
What is the InChIKey of 2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The InChIKey is CPIRTIWCAHXYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-10-11(14)12(16(2)15-10)13(17)18-8-7-9-5-4-6-9/h9H,3-8,14H2,1-2H3.
What are the key properties of 2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 106203640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).