1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C11H12N2O — CID 3021811

IUPAC1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(=O)N1N=CCC1c1ccccc1
InChIInChI=1S/C11H12N2O/c1-9(14)13-11(7-8-12-13)10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3
InChIKeyMGXAJRRGCIWETG-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.97
Rot. Bonds1

About 1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone

1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 3021811) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID3021811
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(=O)N1N=CCC1c1ccccc1
InChIInChI=1S/C11H12N2O/c1-9(14)13-11(7-8-12-13)10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3
InChIKeyMGXAJRRGCIWETG-UHFFFAOYSA-N
XLogP1.97
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 3021811) is 1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone is CC(=O)N1N=CCC1c1ccccc1.
What is the InChIKey of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is MGXAJRRGCIWETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9(14)13-11(7-8-12-13)10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3.
What are the key properties of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 188.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 3021811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).