4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole

C38H30N4 — CID 102040642

IUPAC4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole
SMILESc1ccc(-c2n[nH]c(-c3ccccc3)c2Cc2ccc(Cc3c(-c4ccccc4)n[nH]c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C38H30N4/c1-5-13-29(14-6-1)35-33(36(40-39-35)30-15-7-2-8-16-30)25-27-21-23-28(24-22-27)26-34-37(31-17-9-3-10-18-31)41-42-38(34)32-19-11-4-12-20-32/h1-24H,25-26H2,(H,39,40)(H,41,42)
InChIKeySAFKZIAHFYVTAD-UHFFFAOYSA-N
MW542.69 g/mol
LogP8.98
Rot. Bonds8

About 4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole

4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole (PubChem CID 102040642) has the molecular formula C38H30N4 and a molecular weight of 542.69 g/mol. Its IUPAC name is 4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole.

Molecular Properties

Compound Name4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole
PubChem CID102040642
Molecular FormulaC38H30N4
Molecular Weight542.69 g/mol
Exact Mass542.25
IUPAC Name4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole
SMILESc1ccc(-c2n[nH]c(-c3ccccc3)c2Cc2ccc(Cc3c(-c4ccccc4)n[nH]c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C38H30N4/c1-5-13-29(14-6-1)35-33(36(40-39-35)30-15-7-2-8-16-30)25-27-21-23-28(24-22-27)26-34-37(31-17-9-3-10-18-31)41-42-38(34)32-19-11-4-12-20-32/h1-24H,25-26H2,(H,39,40)(H,41,42)
InChIKeySAFKZIAHFYVTAD-UHFFFAOYSA-N
XLogP8.98
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 58.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole with MolForge

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Related Compounds

4-ethyl-3-phenyl-5-(4-phenylphenyl)-1H-pyrazole
CID 134304912
5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole
CID 118529496
4-nitroso-3,5-diphenyl-1H-pyrazole
CID 15566459
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621
4-benzyl-3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 70685666
4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole
CID 102279447
5-(4-benzylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3766427
4-benzyl-5-phenyl-2H-triazole
CID 90419782
4,5-diphenyl-2H-triazole
CID 613500
(3,5-diphenyl-1H-pyrazol-4-yl) hydrogen sulfate
CID 21454029
N,4-diethyl-5-phenyl-1H-pyrazol-3-amine
CID 63047789
N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847412

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole?
The IUPAC name of 4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole (CID 102040642) is 4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole.
What is the SMILES notation for 4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole?
The canonical SMILES for 4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole is c1ccc(-c2n[nH]c(-c3ccccc3)c2Cc2ccc(Cc3c(-c4ccccc4)n[nH]c3-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole?
The InChIKey is SAFKZIAHFYVTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4/c1-5-13-29(14-6-1)35-33(36(40-39-35)30-15-7-2-8-16-30)25-27-21-23-28(24-22-27)26-34-37(31-17-9-3-10-18-31)41-42-38(34)32-19-11-4-12-20-32/h1-24H,25-26H2,(H,39,40)(H,41,42).
What are the key properties of 4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole?
4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole has a molecular weight of 542.69 g/mol, XLogP of 8.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole is sourced from PubChem (CID 102040642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).