2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

C15H19N3O2 — CID 66124113

IUPAC2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OCCc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-3-18-14(13(16)11(2)17-18)15(19)20-10-9-12-7-5-4-6-8-12/h4-8H,3,9-10,16H2,1-2H3
InChIKeyUNMRGZKJTGIUEE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.19
Rot. Bonds5

About 2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (PubChem CID 66124113) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
PubChem CID66124113
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OCCc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-3-18-14(13(16)11(2)17-18)15(19)20-10-9-12-7-5-4-6-8-12/h4-8H,3,9-10,16H2,1-2H3
InChIKeyUNMRGZKJTGIUEE-UHFFFAOYSA-N
XLogP2.19
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-phenylethyl 4-amino-1-ethyl-3-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

thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66123924
4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide
CID 66123079
[2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124701
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 154148009
(1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125280
4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
CID 66125622
cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124109
4-amino-N-(2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123274
oxan-4-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124690
4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123080
4-amino-1-ethyl-N,3-dimethyl-N-pyridin-2-ylpyrazole-5-carboxamide
CID 66123666
4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide
CID 66123123

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The IUPAC name of 2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (CID 66124113) is 2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.
What is the SMILES notation for 2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The canonical SMILES for 2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is CCn1nc(C)c(N)c1C(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The InChIKey is UNMRGZKJTGIUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18-14(13(16)11(2)17-18)15(19)20-10-9-12-7-5-4-6-8-12/h4-8H,3,9-10,16H2,1-2H3.
What are the key properties of 2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66124113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).