1,4-diphenyl-3-prop-1-enylpyrazole;ethane

C22H28N2 — CID 54498464

IUPAC1,4-diphenyl-3-prop-1-enylpyrazole;ethane
SMILESCC.CC.CC=Cc1nn(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C18H16N2.2C2H6/c1-2-9-18-17(15-10-5-3-6-11-15)14-20(19-18)16-12-7-4-8-13-16;2*1-2/h2-14H,1H3;2*1-2H3
InChIKeyYATRYZGSDLBXDJ-UHFFFAOYSA-N
MW320.48 g/mol
LogP6.62
Rot. Bonds3

About 1,4-diphenyl-3-prop-1-enylpyrazole;ethane

1,4-diphenyl-3-prop-1-enylpyrazole;ethane (PubChem CID 54498464) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1,4-diphenyl-3-prop-1-enylpyrazole;ethane.

Molecular Properties

Compound Name1,4-diphenyl-3-prop-1-enylpyrazole;ethane
PubChem CID54498464
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name1,4-diphenyl-3-prop-1-enylpyrazole;ethane
SMILESCC.CC.CC=Cc1nn(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C18H16N2.2C2H6/c1-2-9-18-17(15-10-5-3-6-11-15)14-20(19-18)16-12-7-4-8-13-16;2*1-2/h2-14H,1H3;2*1-2H3
InChIKeyYATRYZGSDLBXDJ-UHFFFAOYSA-N
XLogP6.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4-triphenylpyrazole
CID 555882
2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine
CID 3046994
2-(1,4-diphenylpyrazol-3-yl)acetamide
CID 21418445
1-phenyl-2-[(Z)-prop-1-enyl]benzene
CID 143027726
methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate
CID 154148416
1-(1,3-diphenylpyrazol-4-yl)-N-phenylmethanimine oxide
CID 139051830
2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide
CID 173207476
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
2-(1,3-diphenylpyrazol-4-yl)-5-methyl-3,4-dioxido-1,3,4-oxadiazole-3,4-diium
CID 71687887
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
benzene;1,1'-biphenyl;(E)-but-2-ene;ethane
CID 161147131
ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene
CID 143380130

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-3-prop-1-enylpyrazole;ethane?
The IUPAC name of 1,4-diphenyl-3-prop-1-enylpyrazole;ethane (CID 54498464) is 1,4-diphenyl-3-prop-1-enylpyrazole;ethane.
What is the SMILES notation for 1,4-diphenyl-3-prop-1-enylpyrazole;ethane?
The canonical SMILES for 1,4-diphenyl-3-prop-1-enylpyrazole;ethane is CC.CC.CC=Cc1nn(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 1,4-diphenyl-3-prop-1-enylpyrazole;ethane?
The InChIKey is YATRYZGSDLBXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2.2C2H6/c1-2-9-18-17(15-10-5-3-6-11-15)14-20(19-18)16-12-7-4-8-13-16;2*1-2/h2-14H,1H3;2*1-2H3.
What are the key properties of 1,4-diphenyl-3-prop-1-enylpyrazole;ethane?
1,4-diphenyl-3-prop-1-enylpyrazole;ethane has a molecular weight of 320.48 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-3-prop-1-enylpyrazole;ethane is sourced from PubChem (CID 54498464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).