ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate

C16H20N2O2 — CID 123549077

IUPACethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2cccc(C(C)C)c2)cn1
InChIInChI=1S/C16H20N2O2/c1-4-20-16(19)11-18-10-15(9-17-18)14-7-5-6-13(8-14)12(2)3/h5-10,12H,4,11H2,1-3H3
InChIKeyWNSIDARFYASLTB-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.24
Rot. Bonds5

About ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate

ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate (PubChem CID 123549077) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate
PubChem CID123549077
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nameethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2cccc(C(C)C)c2)cn1
InChIInChI=1S/C16H20N2O2/c1-4-20-16(19)11-18-10-15(9-17-18)14-7-5-6-13(8-14)12(2)3/h5-10,12H,4,11H2,1-3H3
InChIKeyWNSIDARFYASLTB-UHFFFAOYSA-N
XLogP3.24
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate (CID 123549077) is ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate is CCOC(=O)Cn1cc(-c2cccc(C(C)C)c2)cn1.
What is the InChIKey of ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate?
The InChIKey is WNSIDARFYASLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-20-16(19)11-18-10-15(9-17-18)14-7-5-6-13(8-14)12(2)3/h5-10,12H,4,11H2,1-3H3.
What are the key properties of ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate?
ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate has a molecular weight of 272.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 123549077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).