3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one

C26H18N2O — CID 44614504

IUPAC3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one
SMILESO=c1ccccc2c(/C=C/c3ccc4ccccc4c3)nn(-c3ccccc3)c12
InChIInChI=1S/C26H18N2O/c29-25-13-7-6-12-23-24(27-28(26(23)25)22-10-2-1-3-11-22)17-15-19-14-16-20-8-4-5-9-21(20)18-19/h1-18H/b17-15+
InChIKeyUWKWVGRYARJFHI-BMRADRMJSA-N
MW374.44 g/mol
LogP5.71
Rot. Bonds3

About 3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one

3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one (PubChem CID 44614504) has the molecular formula C26H18N2O and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one.

Molecular Properties

Compound Name3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one
PubChem CID44614504
Molecular FormulaC26H18N2O
Molecular Weight374.44 g/mol
Exact Mass374.14
IUPAC Name3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one
SMILESO=c1ccccc2c(/C=C/c3ccc4ccccc4c3)nn(-c3ccccc3)c12
InChIInChI=1S/C26H18N2O/c29-25-13-7-6-12-23-24(27-28(26(23)25)22-10-2-1-3-11-22)17-15-19-14-16-20-8-4-5-9-21(20)18-19/h1-18H/b17-15+
InChIKeyUWKWVGRYARJFHI-BMRADRMJSA-N
XLogP5.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-2-naphthalen-2-ylethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one
CID 44614505
7-bromo-3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one
CID 44614639
3-[2-(2-bromophenyl)ethenyl]-1-phenylcyclohepta[c]pyrazol-8-one
CID 3465421
3-[2-(4-bromophenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one
CID 71966620
1-(4-bromophenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethenyl]cyclohepta[c]pyrazol-8-one
CID 4294571
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
5,7-dibromo-1-phenyl-3-[(E)-2-phenylethenyl]cyclohepta[c]pyrazol-8-one
CID 14415387
1-(4-bromophenyl)-3-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]cyclohepta[c]pyrazol-8-one
CID 92957944
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene
CID 118885655

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one?
The IUPAC name of 3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one (CID 44614504) is 3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one.
What is the SMILES notation for 3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one?
The canonical SMILES for 3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one is O=c1ccccc2c(/C=C/c3ccc4ccccc4c3)nn(-c3ccccc3)c12.
What is the InChIKey of 3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one?
The InChIKey is UWKWVGRYARJFHI-BMRADRMJSA-N. The full InChI is InChI=1S/C26H18N2O/c29-25-13-7-6-12-23-24(27-28(26(23)25)22-10-2-1-3-11-22)17-15-19-14-16-20-8-4-5-9-21(20)18-19/h1-18H/b17-15+.
What are the key properties of 3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one?
3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one has a molecular weight of 374.44 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-naphthalen-2-ylethenyl]-1-phenylcyclohepta[c]pyrazol-8-one is sourced from PubChem (CID 44614504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).