ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate

C15H19N3O2 — CID 81498506

IUPACethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(CN)c2ccc(C)cc2)c1
InChIInChI=1S/C15H19N3O2/c1-3-20-15(19)13-9-17-18(10-13)14(8-16)12-6-4-11(2)5-7-12/h4-7,9-10,14H,3,8,16H2,1-2H3
InChIKeyGCGRYTGWJCZKPL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.92
Rot. Bonds5

About ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate

ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate (PubChem CID 81498506) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate
PubChem CID81498506
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(CN)c2ccc(C)cc2)c1
InChIInChI=1S/C15H19N3O2/c1-3-20-15(19)13-9-17-18(10-13)14(8-16)12-6-4-11(2)5-7-12/h4-7,9-10,14H,3,8,16H2,1-2H3
InChIKeyGCGRYTGWJCZKPL-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate (CID 81498506) is ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C(CN)c2ccc(C)cc2)c1.
What is the InChIKey of ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate?
The InChIKey is GCGRYTGWJCZKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-20-15(19)13-9-17-18(10-13)14(8-16)12-6-4-11(2)5-7-12/h4-7,9-10,14H,3,8,16H2,1-2H3.
What are the key properties of ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate?
ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 81498506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).