1,3,4-triphenylpyrazole

C21H16N2 — CID 555882

IUPAC1,3,4-triphenylpyrazole
SMILESc1ccc(-c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2/c1-4-10-17(11-5-1)20-16-23(19-14-8-3-9-15-19)22-21(20)18-12-6-2-7-13-18/h1-16H
InChIKeyAXRVRVKZFJPHBH-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.21
Rot. Bonds3

About 1,3,4-triphenylpyrazole

1,3,4-triphenylpyrazole (PubChem CID 555882) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1,3,4-triphenylpyrazole.

Molecular Properties

Compound Name1,3,4-triphenylpyrazole
PubChem CID555882
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name1,3,4-triphenylpyrazole
SMILESc1ccc(-c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2/c1-4-10-17(11-5-1)20-16-23(19-14-8-3-9-15-19)22-21(20)18-12-6-2-7-13-18/h1-16H
InChIKeyAXRVRVKZFJPHBH-UHFFFAOYSA-N
XLogP5.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide
CID 173207476
2-(1,3-diphenylpyrazol-4-yl)-1,3-benzothiazole
CID 46870644
2-(1,3-diphenylpyrazol-4-yl)-5-methyl-3,4-dioxido-1,3,4-oxadiazole-3,4-diium
CID 71687887
2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 118727567
[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
CID 51353320
3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole
CID 166447647
1-(1,3-diphenylpyrazol-4-yl)-N-phenylmethanimine oxide
CID 139051830
1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
CID 51353260
N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide
CID 51353259
1,4-diphenyl-3-prop-1-enylpyrazole;ethane
CID 54498464

Frequently Asked Questions

What is the IUPAC name of 1,3,4-triphenylpyrazole?
The IUPAC name of 1,3,4-triphenylpyrazole (CID 555882) is 1,3,4-triphenylpyrazole.
What is the SMILES notation for 1,3,4-triphenylpyrazole?
The canonical SMILES for 1,3,4-triphenylpyrazole is c1ccc(-c2cn(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 1,3,4-triphenylpyrazole?
The InChIKey is AXRVRVKZFJPHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-4-10-17(11-5-1)20-16-23(19-14-8-3-9-15-19)22-21(20)18-12-6-2-7-13-18/h1-16H.
What are the key properties of 1,3,4-triphenylpyrazole?
1,3,4-triphenylpyrazole has a molecular weight of 296.37 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-triphenylpyrazole is sourced from PubChem (CID 555882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).