ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate

C12H19N5O2 — CID 102796587

IUPACethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(N(CC)CC)c(C#N)c1N
InChIInChI=1S/C12H19N5O2/c1-4-16(5-2)12-9(7-13)11(14)17(15-12)8-10(18)19-6-3/h4-6,8,14H2,1-3H3
InChIKeyFIRUIZHOLXFAPD-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.75
Rot. Bonds6

About ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate

ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate (PubChem CID 102796587) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate
PubChem CID102796587
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Nameethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(N(CC)CC)c(C#N)c1N
InChIInChI=1S/C12H19N5O2/c1-4-16(5-2)12-9(7-13)11(14)17(15-12)8-10(18)19-6-3/h4-6,8,14H2,1-3H3
InChIKeyFIRUIZHOLXFAPD-UHFFFAOYSA-N
XLogP0.75
TPSA97.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate
CID 102809087
ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate
CID 102826279
5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 102795550
5-amino-1-cycloheptyl-3-(diethylamino)pyrazole-4-carbonitrile
CID 102796097
ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate
CID 63758747
5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796667
ethyl 2-[2,5-dicyano-4-(2-ethoxy-2-oxoethyl)-3,6-dihydroxyphenyl]acetate
CID 176905457
ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride
CID 75485346
ethyl 5-amino-1-tert-butyl-4-cyanopyrazole-3-carboxylate
CID 82589818
ethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate
CID 54002860
ethyl 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 71020571
ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate
CID 63277510

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate (CID 102796587) is ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate is CCOC(=O)Cn1nc(N(CC)CC)c(C#N)c1N.
What is the InChIKey of ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate?
The InChIKey is FIRUIZHOLXFAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-16(5-2)12-9(7-13)11(14)17(15-12)8-10(18)19-6-3/h4-6,8,14H2,1-3H3.
What are the key properties of ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate?
ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate has a molecular weight of 265.32 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate is sourced from PubChem (CID 102796587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).