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

C18H16N2O — CID 10492720

IUPACphenyl-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone
SMILESO=C(C1=NNCC1/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O/c21-18(15-9-5-2-6-10-15)17-16(13-19-20-17)12-11-14-7-3-1-4-8-14/h1-12,16,19H,13H2/b12-11+
InChIKeyYOPBOHRGTMREMJ-VAWYXSNFSA-N
MW276.34 g/mol
LogP3.16
Rot. Bonds4

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

phenyl-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone (PubChem CID 10492720) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is phenyl-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone
PubChem CID10492720
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Namephenyl-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone
SMILESO=C(C1=NNCC1/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O/c21-18(15-9-5-2-6-10-15)17-16(13-19-20-17)12-11-14-7-3-1-4-8-14/h1-12,16,19H,13H2/b12-11+
InChIKeyYOPBOHRGTMREMJ-VAWYXSNFSA-N
XLogP3.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
The IUPAC name of phenyl-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone (CID 10492720) is phenyl-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for phenyl-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
The canonical SMILES for phenyl-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone is O=C(C1=NNCC1/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of phenyl-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
The InChIKey is YOPBOHRGTMREMJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18(15-9-5-2-6-10-15)17-16(13-19-20-17)12-11-14-7-3-1-4-8-14/h1-12,16,19H,13H2/b12-11+.
What are the key properties of phenyl-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
phenyl-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone has a molecular weight of 276.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 10492720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).