phenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone

C19H18N2O — CID 10661180

IUPACphenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone
SMILESC/C(=C\c1ccccc1)C1CNN=C1C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O/c1-14(12-15-8-4-2-5-9-15)17-13-20-21-18(17)19(22)16-10-6-3-7-11-16/h2-12,17,20H,13H2,1H3/b14-12+
InChIKeyVKJDALWGUDOHEH-WYMLVPIESA-N
MW290.37 g/mol
LogP3.55
Rot. Bonds4

About phenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone

phenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone (PubChem CID 10661180) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is phenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone
PubChem CID10661180
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Namephenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone
SMILESC/C(=C\c1ccccc1)C1CNN=C1C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O/c1-14(12-15-8-4-2-5-9-15)17-13-20-21-18(17)19(22)16-10-6-3-7-11-16/h2-12,17,20H,13H2,1H3/b14-12+
InChIKeyVKJDALWGUDOHEH-WYMLVPIESA-N
XLogP3.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
The IUPAC name of phenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone (CID 10661180) is phenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for phenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
The canonical SMILES for phenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone is C/C(=C\c1ccccc1)C1CNN=C1C(=O)c1ccccc1.
What is the InChIKey of phenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
The InChIKey is VKJDALWGUDOHEH-WYMLVPIESA-N. The full InChI is InChI=1S/C19H18N2O/c1-14(12-15-8-4-2-5-9-15)17-13-20-21-18(17)19(22)16-10-6-3-7-11-16/h2-12,17,20H,13H2,1H3/b14-12+.
What are the key properties of phenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
phenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone has a molecular weight of 290.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 10661180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).