1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole

C17H16N2O — CID 22088063

IUPAC1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole
SMILESCc1cnn(C)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H16N2O/c1-13-12-18-19(2)17(13)14-8-10-16(11-9-14)20-15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyADUQLIJHJZXETI-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.19
Rot. Bonds3

About 1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole

1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole (PubChem CID 22088063) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole.

Molecular Properties

Compound Name1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole
PubChem CID22088063
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole
SMILESCc1cnn(C)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H16N2O/c1-13-12-18-19(2)17(13)14-8-10-16(11-9-14)20-15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyADUQLIJHJZXETI-UHFFFAOYSA-N
XLogP4.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-phenoxypyridazin-3-one
CID 10750618
4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine
CID 135250258
ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
CID 142829586
1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine
CID 130312780
(1-methyl-5-phenylpyrazol-4-yl)boronic acid
CID 91800306
5-(4-methoxyphenyl)-1-methylpyrazol-4-amine
CID 28803590
3,6-dimethyl-2-(4-phenoxyphenyl)aniline
CID 173271409
[2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol
CID 139504537
3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine
CID 67283736
4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole
CID 13353365
5-(4-phenoxyphenyl)pyrimidine;propane
CID 153341834
1-methyl-5-phenylpyrazole-4-carbonitrile
CID 139271334

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole?
The IUPAC name of 1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole (CID 22088063) is 1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole.
What is the SMILES notation for 1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole?
The canonical SMILES for 1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole is Cc1cnn(C)c1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole?
The InChIKey is ADUQLIJHJZXETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-12-18-19(2)17(13)14-8-10-16(11-9-14)20-15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole?
1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole has a molecular weight of 264.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole is sourced from PubChem (CID 22088063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).