ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate

C13H19N5O2 — CID 135370939

IUPACethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(CC)nn(CCn2cccn2)c1N
InChIInChI=1S/C13H19N5O2/c1-3-10-11(13(19)20-4-2)12(14)18(16-10)9-8-17-7-5-6-15-17/h5-7H,3-4,8-9,14H2,1-2H3
InChIKeyXDWSKYUJKUCSSZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.10
Rot. Bonds6

About ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate

ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate (PubChem CID 135370939) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate
PubChem CID135370939
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Nameethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(CC)nn(CCn2cccn2)c1N
InChIInChI=1S/C13H19N5O2/c1-3-10-11(13(19)20-4-2)12(14)18(16-10)9-8-17-7-5-6-15-17/h5-7H,3-4,8-9,14H2,1-2H3
InChIKeyXDWSKYUJKUCSSZ-UHFFFAOYSA-N
XLogP1.10
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate
CID 151774774
ethyl 5-amino-1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-ethylpyrazole-4-carboxylate
CID 135371071
methyl 5-ethyl-1-(2-pyrazol-1-ylethyl)triazole-4-carboxylate
CID 103105661
ethyl 4-amino-2-(2-pyrazol-1-ylethylsulfanyl)pyrimidine-5-carboxylate
CID 47502464
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
ethyl 2,4-dimethyl-5-(3-pyrazol-1-ylpropylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 37393923
ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
CID 143211364
ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate
CID 135372990
[2-(2,4-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-propylpyrazole-4-carboxylate
CID 135370777
ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 58014043
ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate
CID 83179327
diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 578820

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate (CID 135370939) is ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate is CCOC(=O)c1c(CC)nn(CCn2cccn2)c1N.
What is the InChIKey of ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate?
The InChIKey is XDWSKYUJKUCSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-3-10-11(13(19)20-4-2)12(14)18(16-10)9-8-17-7-5-6-15-17/h5-7H,3-4,8-9,14H2,1-2H3.
What are the key properties of ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate?
ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate has a molecular weight of 277.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 135370939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).