4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole

C18H18N2 — CID 13353365

IUPAC4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole
SMILESCc1cnn(CCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H18N2/c1-15-14-19-20(13-12-16-8-4-2-5-9-16)18(15)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3
InChIKeyOHVGQWAYGZHHEE-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.10
Rot. Bonds4

About 4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole

4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole (PubChem CID 13353365) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole.

Molecular Properties

Compound Name4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole
PubChem CID13353365
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole
SMILESCc1cnn(CCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H18N2/c1-15-14-19-20(13-12-16-8-4-2-5-9-16)18(15)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3
InChIKeyOHVGQWAYGZHHEE-UHFFFAOYSA-N
XLogP4.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(2-phenylethyl)pyrazol-5-amine
CID 43148141
5-methyl-1-(2-phenylethyl)pyrazole
CID 10419930
5-benzyl-1,4-dimethylpyrazole
CID 126758584
4-(1-ethyl-4-methylpyrazol-5-yl)phenol
CID 136765379
4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine
CID 29060877
4,5-diphenyl-2-(2-phenylethyl)triazole
CID 102048499
1-ethyl-5-phenylpyrazol-4-amine
CID 105442691
4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 58316679
1-(2-phenylethyl)indazol-6-amine
CID 22693545
3-chloro-5-methyl-1-(2-phenylethyl)-1,2,4-triazole;hydrochloride
CID 52997057
1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole
CID 22088063
1-benzyl-4-bromo-5-methylpyrazole
CID 15129851

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole?
The IUPAC name of 4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole (CID 13353365) is 4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole.
What is the SMILES notation for 4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole?
The canonical SMILES for 4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole is Cc1cnn(CCc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole?
The InChIKey is OHVGQWAYGZHHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-15-14-19-20(13-12-16-8-4-2-5-9-16)18(15)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3.
What are the key properties of 4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole?
4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole has a molecular weight of 262.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole is sourced from PubChem (CID 13353365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).