1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole

C46H34N6 — CID 22472428

IUPAC1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole
SMILESc1ccc(-c2cc(-c3ccccc3)n(C(n3nc(-c4ccccc4)cc3-c3ccccc3)n3nc(-c4ccccc4)cc3-c3ccccc3)n2)cc1
InChIInChI=1S/C46H34N6/c1-7-19-34(20-8-1)40-31-43(37-25-13-4-14-26-37)50(47-40)46(51-44(38-27-15-5-16-28-38)32-41(48-51)35-21-9-2-10-22-35)52-45(39-29-17-6-18-30-39)33-42(49-52)36-23-11-3-12-24-36/h1-33,46H
InChIKeyFYZQRGHFYMDZFP-UHFFFAOYSA-N
MW670.82 g/mol
LogP10.83
Rot. Bonds9

About 1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole

1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole (PubChem CID 22472428) has the molecular formula C46H34N6 and a molecular weight of 670.82 g/mol. Its IUPAC name is 1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole.

Molecular Properties

Compound Name1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole
PubChem CID22472428
Molecular FormulaC46H34N6
Molecular Weight670.82 g/mol
Exact Mass670.28
IUPAC Name1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole
SMILESc1ccc(-c2cc(-c3ccccc3)n(C(n3nc(-c4ccccc4)cc3-c3ccccc3)n3nc(-c4ccccc4)cc3-c3ccccc3)n2)cc1
InChIInChI=1S/C46H34N6/c1-7-19-34(20-8-1)40-31-43(37-25-13-4-14-26-37)50(47-40)46(51-44(38-27-15-5-16-28-38)32-41(48-51)35-21-9-2-10-22-35)52-45(39-29-17-6-18-30-39)33-42(49-52)36-23-11-3-12-24-36/h1-33,46H
InChIKeyFYZQRGHFYMDZFP-UHFFFAOYSA-N
XLogP10.83
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.82
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole?
The IUPAC name of 1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole (CID 22472428) is 1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole.
What is the SMILES notation for 1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole?
The canonical SMILES for 1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole is c1ccc(-c2cc(-c3ccccc3)n(C(n3nc(-c4ccccc4)cc3-c3ccccc3)n3nc(-c4ccccc4)cc3-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole?
The InChIKey is FYZQRGHFYMDZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N6/c1-7-19-34(20-8-1)40-31-43(37-25-13-4-14-26-37)50(47-40)46(51-44(38-27-15-5-16-28-38)32-41(48-51)35-21-9-2-10-22-35)52-45(39-29-17-6-18-30-39)33-42(49-52)36-23-11-3-12-24-36/h1-33,46H.
What are the key properties of 1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole?
1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole has a molecular weight of 670.82 g/mol, XLogP of 10.83, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3,5-diphenylpyrazol-1-yl)methyl]-3,5-diphenylpyrazole is sourced from PubChem (CID 22472428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).