(2-phenyl-3,4-dihydropyrazol-5-yl) acetate

C11H12N2O2 — CID 520319

IUPAC(2-phenyl-3,4-dihydropyrazol-5-yl) acetate
SMILESCC(=O)OC1=NN(c2ccccc2)CC1
InChIInChI=1S/C11H12N2O2/c1-9(14)15-11-7-8-13(12-11)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyKEKBLIAQVPGFMT-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.77
Rot. Bonds1

About (2-phenyl-3,4-dihydropyrazol-5-yl) acetate

(2-phenyl-3,4-dihydropyrazol-5-yl) acetate (PubChem CID 520319) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2-phenyl-3,4-dihydropyrazol-5-yl) acetate.

Molecular Properties

Compound Name(2-phenyl-3,4-dihydropyrazol-5-yl) acetate
PubChem CID520319
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(2-phenyl-3,4-dihydropyrazol-5-yl) acetate
SMILESCC(=O)OC1=NN(c2ccccc2)CC1
InChIInChI=1S/C11H12N2O2/c1-9(14)15-11-7-8-13(12-11)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyKEKBLIAQVPGFMT-UHFFFAOYSA-N
XLogP1.77
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-3,4-dihydropyrazol-5-yl) acetate?
The IUPAC name of (2-phenyl-3,4-dihydropyrazol-5-yl) acetate (CID 520319) is (2-phenyl-3,4-dihydropyrazol-5-yl) acetate.
What is the SMILES notation for (2-phenyl-3,4-dihydropyrazol-5-yl) acetate?
The canonical SMILES for (2-phenyl-3,4-dihydropyrazol-5-yl) acetate is CC(=O)OC1=NN(c2ccccc2)CC1.
What is the InChIKey of (2-phenyl-3,4-dihydropyrazol-5-yl) acetate?
The InChIKey is KEKBLIAQVPGFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-9(14)15-11-7-8-13(12-11)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3.
What are the key properties of (2-phenyl-3,4-dihydropyrazol-5-yl) acetate?
(2-phenyl-3,4-dihydropyrazol-5-yl) acetate has a molecular weight of 204.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-3,4-dihydropyrazol-5-yl) acetate is sourced from PubChem (CID 520319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).