1-(3,4-dimethylphenyl)-3-phenylpyrazole

C17H16N2 — CID 135064908

IUPAC1-(3,4-dimethylphenyl)-3-phenylpyrazole
SMILESCc1ccc(-n2ccc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C17H16N2/c1-13-8-9-16(12-14(13)2)19-11-10-17(18-19)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyGRYHCYFOTVVQOC-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.16
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-3-phenylpyrazole

1-(3,4-dimethylphenyl)-3-phenylpyrazole (PubChem CID 135064908) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-phenylpyrazole.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-phenylpyrazole
PubChem CID135064908
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name1-(3,4-dimethylphenyl)-3-phenylpyrazole
SMILESCc1ccc(-n2ccc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C17H16N2/c1-13-8-9-16(12-14(13)2)19-11-10-17(18-19)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyGRYHCYFOTVVQOC-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-methylpyrazole
CID 90368021
5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine
CID 129142491
1-(3-chlorophenyl)-3-phenylpyrazole
CID 170994248
1,3-bis(4-methylphenyl)pyrazole
CID 163429464
2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol
CID 160974231
1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenylpyrazole
CID 129257003
3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid
CID 58156745
3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole
CID 23524520
1-(2-methylthiophen-3-yl)-3-phenylpyrazole
CID 59804975
3-[1-(3,4-dimethylphenyl)pyrazol-3-yl]propanoic acid
CID 116818163
1,3-bis(4-bromophenyl)pyrazole
CID 174923540
N-methyl-2-(3-phenylpyrazol-1-yl)aniline
CID 869424

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-phenylpyrazole?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-phenylpyrazole (CID 135064908) is 1-(3,4-dimethylphenyl)-3-phenylpyrazole.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-phenylpyrazole?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-phenylpyrazole is Cc1ccc(-n2ccc(-c3ccccc3)n2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-phenylpyrazole?
The InChIKey is GRYHCYFOTVVQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-13-8-9-16(12-14(13)2)19-11-10-17(18-19)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-phenylpyrazole?
1-(3,4-dimethylphenyl)-3-phenylpyrazole has a molecular weight of 248.33 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-phenylpyrazole is sourced from PubChem (CID 135064908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).