1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one

C14H14N2O — CID 4558473

IUPAC1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one
SMILESCCC(=O)c1cc(C=Cc2ccccc2)[nH]n1
InChIInChI=1S/C14H14N2O/c1-2-14(17)13-10-12(15-16-13)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,15,16)
InChIKeyRASLZOVLAGEGNF-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.17
Rot. Bonds4

About 1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one

1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one (PubChem CID 4558473) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one
PubChem CID4558473
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one
SMILESCCC(=O)c1cc(C=Cc2ccccc2)[nH]n1
InChIInChI=1S/C14H14N2O/c1-2-14(17)13-10-12(15-16-13)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,15,16)
InChIKeyRASLZOVLAGEGNF-UHFFFAOYSA-N
XLogP3.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol
CID 135991591
acetic acid;stilbene
CID 172803728
tert-butyl N-[4-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]phenyl]carbamate
CID 11516040
4-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]aniline
CID 143204611
5-[(Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1H-pyrazole-3-carboxylic acid
CID 66643535
ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole
CID 90810948
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid
CID 58810625
5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid
CID 139449286
1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone
CID 123456736
2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol
CID 135453214

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one?
The IUPAC name of 1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one (CID 4558473) is 1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one.
What is the SMILES notation for 1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one?
The canonical SMILES for 1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one is CCC(=O)c1cc(C=Cc2ccccc2)[nH]n1.
What is the InChIKey of 1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one?
The InChIKey is RASLZOVLAGEGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-14(17)13-10-12(15-16-13)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,15,16).
What are the key properties of 1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one?
1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one has a molecular weight of 226.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one is sourced from PubChem (CID 4558473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).