1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole

C27H26N2 — CID 19586760

IUPAC1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole
SMILESC=Cc1ccc(Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C27H26N2/c1-5-22-10-12-23(13-11-22)18-29-27(25-16-8-20(3)9-17-25)21(4)26(28-29)24-14-6-19(2)7-15-24/h5-17H,1,18H2,2-4H3
InChIKeyOHUFCMOTHYDAPX-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.83
Rot. Bonds5

About 1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole

1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole (PubChem CID 19586760) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole
PubChem CID19586760
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole
SMILESC=Cc1ccc(Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C27H26N2/c1-5-22-10-12-23(13-11-22)18-29-27(25-16-8-20(3)9-17-25)21(4)26(28-29)24-14-6-19(2)7-15-24/h5-17H,1,18H2,2-4H3
InChIKeyOHUFCMOTHYDAPX-UHFFFAOYSA-N
XLogP6.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-bis(3,4-dimethylphenyl)-1-[(4-ethenylphenyl)methyl]-4-methylpyrazole
CID 17025686
4-chloro-3,5-bis(3,4-dimethylphenyl)-1-[(4-ethenylphenyl)methyl]pyrazole
CID 19586992
4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-ethenylphenyl)methyl]pyrazole
CID 19587486
3,5-bis(4-bromophenyl)-4-chloro-1-[(4-methylphenyl)methyl]pyrazole
CID 17025335
1-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole
CID 19586407
1-[(4-chlorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)-4-methylpyrazole
CID 19587205
3,5-bis(3,4-dimethoxyphenyl)-1-[(4-ethenylphenyl)methyl]-4-ethylpyrazole
CID 17025406
1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene
CID 21201014
4-bromo-1-[(4-methoxyphenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole
CID 19586803
4-chloro-1-[(4-ethenylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
CID 17025443
1-(4-ethenylphenyl)-4-(4-methylphenyl)benzene
CID 123748481
1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)-4-methylpyrazole
CID 19587568

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole?
The IUPAC name of 1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole (CID 19586760) is 1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole.
What is the SMILES notation for 1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole?
The canonical SMILES for 1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole is C=Cc1ccc(Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole?
The InChIKey is OHUFCMOTHYDAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-5-22-10-12-23(13-11-22)18-29-27(25-16-8-20(3)9-17-25)21(4)26(28-29)24-14-6-19(2)7-15-24/h5-17H,1,18H2,2-4H3.
What are the key properties of 1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole?
1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole has a molecular weight of 378.52 g/mol, XLogP of 6.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole is sourced from PubChem (CID 19586760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).