ethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate

C15H19N3O2 — CID 4962597

IUPACethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
SMILESCCOC(=O)C(N)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C15H19N3O2/c1-4-20-15(19)14(16)13-10(2)17-18(11(13)3)12-8-6-5-7-9-12/h5-9,14H,4,16H2,1-3H3
InChIKeyYRZKMHWKNNIQCJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.05
Rot. Bonds4

About ethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate

ethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate (PubChem CID 4962597) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
PubChem CID4962597
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
SMILESCCOC(=O)C(N)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C15H19N3O2/c1-4-20-15(19)14(16)13-10(2)17-18(11(13)3)12-8-6-5-7-9-12/h5-9,14H,4,16H2,1-3H3
InChIKeyYRZKMHWKNNIQCJ-UHFFFAOYSA-N
XLogP2.05
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate (CID 4962597) is ethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate is CCOC(=O)C(N)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of ethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
The InChIKey is YRZKMHWKNNIQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-20-15(19)14(16)13-10(2)17-18(11(13)3)12-8-6-5-7-9-12/h5-9,14H,4,16H2,1-3H3.
What are the key properties of ethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
ethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate has a molecular weight of 273.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate is sourced from PubChem (CID 4962597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).