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

C19H18N2O — CID 10755936

IUPAC(4-methylphenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(C(=O)C2=NNCC2/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H18N2O/c1-14-7-10-16(11-8-14)19(22)18-17(13-20-21-18)12-9-15-5-3-2-4-6-15/h2-12,17,20H,13H2,1H3/b12-9+
InChIKeyJBYWUTYLWAELHJ-FMIVXFBMSA-N
MW290.37 g/mol
LogP3.47
Rot. Bonds4

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

(4-methylphenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone (PubChem CID 10755936) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (4-methylphenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone
PubChem CID10755936
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(4-methylphenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(C(=O)C2=NNCC2/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H18N2O/c1-14-7-10-16(11-8-14)19(22)18-17(13-20-21-18)12-9-15-5-3-2-4-6-15/h2-12,17,20H,13H2,1H3/b12-9+
InChIKeyJBYWUTYLWAELHJ-FMIVXFBMSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone (CID 10755936) is (4-methylphenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone is Cc1ccc(C(=O)C2=NNCC2/C=C/c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
The InChIKey is JBYWUTYLWAELHJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-7-10-16(11-8-14)19(22)18-17(13-20-21-18)12-9-15-5-3-2-4-6-15/h2-12,17,20H,13H2,1H3/b12-9+.
What are the key properties of (4-methylphenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
(4-methylphenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone has a molecular weight of 290.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 10755936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).