ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole

C13H16N2 — CID 90810948

IUPACethane;5-[(E)-2-phenylethenyl]-1H-pyrazole
SMILESC(=C/c1ccn[nH]1)\c1ccccc1.CC
InChIInChI=1S/C11H10N2.C2H6/c1-2-4-10(5-3-1)6-7-11-8-9-12-13-11;1-2/h1-9H,(H,12,13);1-2H3/b7-6+;
InChIKeyLTXMMYPQRZYUNJ-UHDJGPCESA-N
MW200.28 g/mol
LogP3.61
Rot. Bonds2

About ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole

ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole (PubChem CID 90810948) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole.

Molecular Properties

Compound Nameethane;5-[(E)-2-phenylethenyl]-1H-pyrazole
PubChem CID90810948
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Nameethane;5-[(E)-2-phenylethenyl]-1H-pyrazole
SMILESC(=C/c1ccn[nH]1)\c1ccccc1.CC
InChIInChI=1S/C11H10N2.C2H6/c1-2-4-10(5-3-1)6-7-11-8-9-12-13-11;1-2/h1-9H,(H,12,13);1-2H3/b7-6+;
InChIKeyLTXMMYPQRZYUNJ-UHDJGPCESA-N
XLogP3.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-naphthalen-2-ylethenyl)-1H-pyrazole
CID 66960480
5-[(Z)-2-naphthalen-2-ylethenyl]-1H-pyrazole
CID 44609560
ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole
CID 143924426
5-[2-(2-fluorophenyl)ethenyl]-1H-pyrazole
CID 173291602
5-(2-thiophen-3-ylethenyl)-1H-pyrazole
CID 66979124
2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole
CID 102597288
1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium)
CID 159183097
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2-methyl-5-(2-phenylethenyl)-1H-imidazole
CID 175264708
N,N-dimethylmethanamine;stilbene
CID 174368184
ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole
CID 145111206

Frequently Asked Questions

What is the IUPAC name of ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole?
The IUPAC name of ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole (CID 90810948) is ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole.
What is the SMILES notation for ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole?
The canonical SMILES for ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole is C(=C/c1ccn[nH]1)\c1ccccc1.CC.
What is the InChIKey of ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole?
The InChIKey is LTXMMYPQRZYUNJ-UHDJGPCESA-N. The full InChI is InChI=1S/C11H10N2.C2H6/c1-2-4-10(5-3-1)6-7-11-8-9-12-13-11;1-2/h1-9H,(H,12,13);1-2H3/b7-6+;.
What are the key properties of ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole?
ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole has a molecular weight of 200.28 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole is sourced from PubChem (CID 90810948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).