1-[(E)-4-phenylbut-3-en-2-yl]pyrazole

C13H14N2 — CID 135042259

IUPAC1-[(E)-4-phenylbut-3-en-2-yl]pyrazole
SMILESCC(/C=C/c1ccccc1)n1cccn1
InChIInChI=1S/C13H14N2/c1-12(15-11-5-10-14-15)8-9-13-6-3-2-4-7-13/h2-12H,1H3/b9-8+
InChIKeyJLDANJIJUZBHEB-CMDGGOBGSA-N
MW198.27 g/mol
LogP3.16
Rot. Bonds3

About 1-[(E)-4-phenylbut-3-en-2-yl]pyrazole

1-[(E)-4-phenylbut-3-en-2-yl]pyrazole (PubChem CID 135042259) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[(E)-4-phenylbut-3-en-2-yl]pyrazole.

Molecular Properties

Compound Name1-[(E)-4-phenylbut-3-en-2-yl]pyrazole
PubChem CID135042259
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name1-[(E)-4-phenylbut-3-en-2-yl]pyrazole
SMILESCC(/C=C/c1ccccc1)n1cccn1
InChIInChI=1S/C13H14N2/c1-12(15-11-5-10-14-15)8-9-13-6-3-2-4-7-13/h2-12H,1H3/b9-8+
InChIKeyJLDANJIJUZBHEB-CMDGGOBGSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-N-[(E)-3-phenylprop-2-enyl]-3-pyrazol-1-ylbutan-2-amine
CID 95280050
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
1-(2-phenylethenyl)pyrazole
CID 71346578
4-[(E)-4-phenylbut-3-en-2-yl]morpholine
CID 101488129
[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene
CID 132509961
[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene
CID 176640300
[(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene
CID 102252703
2-methylpropane;1-propan-2-ylpyrazole
CID 159283951
1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole
CID 170411970
2-(dimethylamino)-4-phenylbut-3-enenitrile
CID 73110319
N,N-dimethylmethanamine;stilbene
CID 174368184

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-phenylbut-3-en-2-yl]pyrazole?
The IUPAC name of 1-[(E)-4-phenylbut-3-en-2-yl]pyrazole (CID 135042259) is 1-[(E)-4-phenylbut-3-en-2-yl]pyrazole.
What is the SMILES notation for 1-[(E)-4-phenylbut-3-en-2-yl]pyrazole?
The canonical SMILES for 1-[(E)-4-phenylbut-3-en-2-yl]pyrazole is CC(/C=C/c1ccccc1)n1cccn1.
What is the InChIKey of 1-[(E)-4-phenylbut-3-en-2-yl]pyrazole?
The InChIKey is JLDANJIJUZBHEB-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H14N2/c1-12(15-11-5-10-14-15)8-9-13-6-3-2-4-7-13/h2-12H,1H3/b9-8+.
What are the key properties of 1-[(E)-4-phenylbut-3-en-2-yl]pyrazole?
1-[(E)-4-phenylbut-3-en-2-yl]pyrazole has a molecular weight of 198.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-phenylbut-3-en-2-yl]pyrazole is sourced from PubChem (CID 135042259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).