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

C10H15N5O2 — CID 102809087

IUPACethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(N(C)C)c(C#N)c1N
InChIInChI=1S/C10H15N5O2/c1-4-17-8(16)6-15-9(12)7(5-11)10(13-15)14(2)3/h4,6,12H2,1-3H3
InChIKeyAWYGFUGVHKCOTF-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.03
Rot. Bonds4

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

ethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate (PubChem CID 102809087) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate
PubChem CID102809087
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Nameethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(N(C)C)c(C#N)c1N
InChIInChI=1S/C10H15N5O2/c1-4-17-8(16)6-15-9(12)7(5-11)10(13-15)14(2)3/h4,6,12H2,1-3H3
InChIKeyAWYGFUGVHKCOTF-UHFFFAOYSA-N
XLogP-0.03
TPSA97.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[5-amino-4-cyano-3-(diethylamino)pyrazol-1-yl]acetate
CID 102796587
ethyl 2-[5-amino-3-(dimethylamino)-4-methylsulfonylpyrazol-1-yl]acetate
CID 102826279
5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796667
ethyl 2-[7-chloro-4-(dimethylamino)-1-oxophthalazin-2-yl]acetate
CID 171770484
ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate
CID 63758747
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 2-(5-methyl-3-nitropyrazol-1-yl)acetate
CID 771926
ethyl 5-amino-1-tert-butyl-4-cyanopyrazole-3-carboxylate
CID 82589818
5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile
CID 102809020
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate (CID 102809087) is ethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate is CCOC(=O)Cn1nc(N(C)C)c(C#N)c1N.
What is the InChIKey of ethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate?
The InChIKey is AWYGFUGVHKCOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-4-17-8(16)6-15-9(12)7(5-11)10(13-15)14(2)3/h4,6,12H2,1-3H3.
What are the key properties of ethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate?
ethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate has a molecular weight of 237.26 g/mol, XLogP of -0.03, 4 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-(dimethylamino)pyrazol-1-yl]acetate is sourced from PubChem (CID 102809087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).