(3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

C15H16N4O2 — CID 66119090

IUPAC(3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OCc2cccc(C#N)c2)c1N
InChIInChI=1S/C15H16N4O2/c1-3-12-13(17)14(19(2)18-12)15(20)21-9-11-6-4-5-10(7-11)8-16/h4-7H,3,9,17H2,1-2H3
InChIKeyGMMGLJNLGQUYEY-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.79
Rot. Bonds4

About (3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

(3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (PubChem CID 66119090) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name(3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
PubChem CID66119090
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name(3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OCc2cccc(C#N)c2)c1N
InChIInChI=1S/C15H16N4O2/c1-3-12-13(17)14(19(2)18-12)15(20)21-9-11-6-4-5-10(7-11)8-16/h4-7H,3,9,17H2,1-2H3
InChIKeyGMMGLJNLGQUYEY-UHFFFAOYSA-N
XLogP1.79
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate 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

(3-bromophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66118689
(3-cyanophenyl)methyl 4-amino-3-fluorobenzoate
CID 62682433
(4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 114348591
4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 107796820
(3-cyanophenyl)methyl 4-propan-2-ylbenzoate
CID 7969143
(3-cyanophenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 7133515
(3-bromothiophen-2-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66116783
ethyl 2-(3-cyanophenyl)-3-[(3-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate
CID 162654274
(3-cyanophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314737
cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117193
(3-cyanophenyl)methyl 2-benzoylbenzoate
CID 7764333
(3-cyanophenyl)methyl 2,5-dimethylbenzoate
CID 8534932

Frequently Asked Questions

What is the IUPAC name of (3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The IUPAC name of (3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (CID 66119090) is (3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for (3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The canonical SMILES for (3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is CCc1nn(C)c(C(=O)OCc2cccc(C#N)c2)c1N.
What is the InChIKey of (3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The InChIKey is GMMGLJNLGQUYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-12-13(17)14(19(2)18-12)15(20)21-9-11-6-4-5-10(7-11)8-16/h4-7H,3,9,17H2,1-2H3.
What are the key properties of (3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
(3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66119090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).