methyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate

C15H14N2O3 — CID 171127268

IUPACmethyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(-c2ccc3c(c2)C(=O)CC3)cn1
InChIInChI=1S/C15H14N2O3/c1-20-15(19)9-17-8-12(7-16-17)11-3-2-10-4-5-14(18)13(10)6-11/h2-3,6-8H,4-5,9H2,1H3
InChIKeyHPHXKYABDFDKSJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.85
Rot. Bonds3

About methyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate

methyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate (PubChem CID 171127268) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate
PubChem CID171127268
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namemethyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(-c2ccc3c(c2)C(=O)CC3)cn1
InChIInChI=1S/C15H14N2O3/c1-20-15(19)9-17-8-12(7-16-17)11-3-2-10-4-5-14(18)13(10)6-11/h2-3,6-8H,4-5,9H2,1H3
InChIKeyHPHXKYABDFDKSJ-UHFFFAOYSA-N
XLogP1.85
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate (CID 171127268) is methyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate is COC(=O)Cn1cc(-c2ccc3c(c2)C(=O)CC3)cn1.
What is the InChIKey of methyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate?
The InChIKey is HPHXKYABDFDKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-20-15(19)9-17-8-12(7-16-17)11-3-2-10-4-5-14(18)13(10)6-11/h2-3,6-8H,4-5,9H2,1H3.
What are the key properties of methyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate?
methyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate has a molecular weight of 270.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-oxo-1,2-dihydroinden-5-yl)pyrazol-1-yl]acetate is sourced from PubChem (CID 171127268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).