ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate

C12H18N4O2 — CID 63758747

IUPACethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1c(C#N)c(C)nn1C
InChIInChI=1S/C12H18N4O2/c1-5-18-11(17)6-7-15(3)12-10(8-13)9(2)14-16(12)4/h5-7H2,1-4H3
InChIKeyZXXIEUBJBDJSRV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.99
Rot. Bonds5

About ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate

ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate (PubChem CID 63758747) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate
PubChem CID63758747
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Nameethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1c(C#N)c(C)nn1C
InChIInChI=1S/C12H18N4O2/c1-5-18-11(17)6-7-15(3)12-10(8-13)9(2)14-16(12)4/h5-7H2,1-4H3
InChIKeyZXXIEUBJBDJSRV-UHFFFAOYSA-N
XLogP0.99
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate 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

methyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-2-methylpropanoate
CID 63756327
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide
CID 55243869
5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 113285589
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid
CID 63758693
5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63751803
5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63751974
5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63758874
1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile
CID 63753001
ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate
CID 63758021
5-[(5-amino-2-chlorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757012
5-[(4-bromothiophen-2-yl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63752150
ethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate
CID 102809087

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate (CID 63758747) is ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate is CCOC(=O)CCN(C)c1c(C#N)c(C)nn1C.
What is the InChIKey of ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate?
The InChIKey is ZXXIEUBJBDJSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-5-18-11(17)6-7-15(3)12-10(8-13)9(2)14-16(12)4/h5-7H2,1-4H3.
What are the key properties of ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate?
ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate has a molecular weight of 250.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate is sourced from PubChem (CID 63758747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).