1H-Pyrazole, 3,5-diphenyl-

C15H12N2 — CID 70840

IUPAC3,5-diphenyl-1H-pyrazole
SMILESC1=CC=C(C=C1)C2=CC(=NN2)C3=CC=CC=C3
InChIInChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)
InChIKeyJXHKUYQCEJILEI-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.50
Rot. Bonds2

About 1H-Pyrazole, 3,5-diphenyl-

1H-Pyrazole, 3,5-diphenyl- (PubChem CID 70840) has the molecular formula C15H12N2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3,5-diphenyl-1H-pyrazole.

Molecular Properties

Compound Name1H-Pyrazole, 3,5-diphenyl-
PubChem CID70840
Molecular FormulaC15H12N2
Molecular Weight220.27 g/mol
Exact Mass220.10
IUPAC Name3,5-diphenyl-1H-pyrazole
SMILESC1=CC=C(C=C1)C2=CC(=NN2)C3=CC=CC=C3
InChIInChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)
InChIKeyJXHKUYQCEJILEI-UHFFFAOYSA-N
XLogP3.50
TPSA28.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity229

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
5-Amino-3-methyl-4-phenylpyrazole
CID 599501
3-Amino-5-phenylpyrazole
CID 136655
3-phenyl-1H-pyrazole
CID 17155
3-Methyl-4-phenylpyrazol
CID 139601
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
5-benzyl-3-tert-butyl-1H-pyrazole
CID 691260
5-benzhydryl-1H-pyrazole
CID 2806015
3-methyl-1H-indazole
CID 820804
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
5-Amino-3-(4-methylphenyl)pyrazole
CID 736768
3,4-diphenyl-1H-pyrazol-5-amine
CID 737137

Frequently Asked Questions

What is the IUPAC name of 1H-Pyrazole, 3,5-diphenyl-?
The IUPAC name of 1H-Pyrazole, 3,5-diphenyl- (CID 70840) is 3,5-diphenyl-1H-pyrazole.
What is the SMILES notation for 1H-Pyrazole, 3,5-diphenyl-?
The canonical SMILES for 1H-Pyrazole, 3,5-diphenyl- is C1=CC=C(C=C1)C2=CC(=NN2)C3=CC=CC=C3.
What is the InChIKey of 1H-Pyrazole, 3,5-diphenyl-?
The InChIKey is JXHKUYQCEJILEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17).
What are the key properties of 1H-Pyrazole, 3,5-diphenyl-?
1H-Pyrazole, 3,5-diphenyl- has a molecular weight of 220.27 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-Pyrazole, 3,5-diphenyl- is sourced from PubChem (CID 70840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).