1-benzyl-3,5-diphenylpyrazole

C22H18N2 — CID 4624980

IUPAC1-benzyl-3,5-diphenylpyrazole
SMILESc1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2/c1-4-10-18(11-5-1)17-24-22(20-14-8-3-9-15-20)16-21(23-24)19-12-6-2-7-13-19/h1-16H,17H2
InChIKeySPDNFGYQGJFVTA-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.27
Rot. Bonds4

About 1-benzyl-3,5-diphenylpyrazole

1-benzyl-3,5-diphenylpyrazole (PubChem CID 4624980) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-benzyl-3,5-diphenylpyrazole.

Molecular Properties

Compound Name1-benzyl-3,5-diphenylpyrazole
PubChem CID4624980
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name1-benzyl-3,5-diphenylpyrazole
SMILESc1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2/c1-4-10-18(11-5-1)17-24-22(20-14-8-3-9-15-20)16-21(23-24)19-12-6-2-7-13-19/h1-16H,17H2
InChIKeySPDNFGYQGJFVTA-UHFFFAOYSA-N
XLogP5.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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AS-19
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Difenzoquat
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1-benzyl-1H-indazole
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1-(2-Hydroxyethyl)-3,5-diphenyl-1H-pyrazole
CID 128748
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
1-benzyl-3-phenyl-1H-pyrazol-5-amine
CID 684746
Fezolamine
CID 54567
Sant-1
CID 6878030
E-55888
CID 24825775
2-Benzyl-3-phenyl-7-(trifluoromethyl)-2H-indazole
CID 25137977
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-diphenylpyrazole?
The IUPAC name of 1-benzyl-3,5-diphenylpyrazole (CID 4624980) is 1-benzyl-3,5-diphenylpyrazole.
What is the SMILES notation for 1-benzyl-3,5-diphenylpyrazole?
The canonical SMILES for 1-benzyl-3,5-diphenylpyrazole is c1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3,5-diphenylpyrazole?
The InChIKey is SPDNFGYQGJFVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-4-10-18(11-5-1)17-24-22(20-14-8-3-9-15-20)16-21(23-24)19-12-6-2-7-13-19/h1-16H,17H2.
What are the key properties of 1-benzyl-3,5-diphenylpyrazole?
1-benzyl-3,5-diphenylpyrazole has a molecular weight of 310.40 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-diphenylpyrazole is sourced from PubChem (CID 4624980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).