1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole

C32H22N4 — CID 142384034

IUPAC1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole
SMILESc1ccc2c(-c3ccc(-n4cccn4)cc3)c3ccccc3c(-c3ccc(-n4cccn4)cc3)c2c1
InChIInChI=1S/C32H22N4/c1-2-8-28-27(7-1)31(23-11-15-25(16-12-23)35-21-5-19-33-35)29-9-3-4-10-30(29)32(28)24-13-17-26(18-14-24)36-22-6-20-34-36/h1-22H
InChIKeyQXIQQTDDIZKESQ-UHFFFAOYSA-N
MW462.56 g/mol
LogP7.70
Rot. Bonds4

About 1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole

1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole (PubChem CID 142384034) has the molecular formula C32H22N4 and a molecular weight of 462.56 g/mol. Its IUPAC name is 1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole.

Molecular Properties

Compound Name1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole
PubChem CID142384034
Molecular FormulaC32H22N4
Molecular Weight462.56 g/mol
Exact Mass462.18
IUPAC Name1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole
SMILESc1ccc2c(-c3ccc(-n4cccn4)cc3)c3ccccc3c(-c3ccc(-n4cccn4)cc3)c2c1
InChIInChI=1S/C32H22N4/c1-2-8-28-27(7-1)31(23-11-15-25(16-12-23)35-21-5-19-33-35)29-9-3-4-10-30(29)32(28)24-13-17-26(18-14-24)36-22-6-20-34-36/h1-22H
InChIKeyQXIQQTDDIZKESQ-UHFFFAOYSA-N
XLogP7.70
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)pyrazole
CID 10443564
1-[4-[(4-pyrazol-1-ylphenyl)disulfanyl]phenyl]pyrazole
CID 90924211
5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide
CID 50977741
1-(3-deuteriophenyl)pyrazole
CID 59806816
1-(4-ethenylphenyl)pyrazole
CID 59449537
4-[(4-pyrazol-1-ylphenyl)methyl]quinoline
CID 174923169
4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one
CID 139757385
4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole
CID 141193696
4-(4-pyrazol-1-ylphenoxy)quinazoline
CID 138038739
1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole
CID 123238761
1-[4-(4-fluorophenoxy)phenyl]pyrazole
CID 22025364
4-pyrazol-1-ylbenzoate
CID 5158283

Frequently Asked Questions

What is the IUPAC name of 1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole?
The IUPAC name of 1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole (CID 142384034) is 1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole.
What is the SMILES notation for 1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole?
The canonical SMILES for 1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole is c1ccc2c(-c3ccc(-n4cccn4)cc3)c3ccccc3c(-c3ccc(-n4cccn4)cc3)c2c1.
What is the InChIKey of 1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole?
The InChIKey is QXIQQTDDIZKESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4/c1-2-8-28-27(7-1)31(23-11-15-25(16-12-23)35-21-5-19-33-35)29-9-3-4-10-30(29)32(28)24-13-17-26(18-14-24)36-22-6-20-34-36/h1-22H.
What are the key properties of 1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole?
1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole has a molecular weight of 462.56 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole is sourced from PubChem (CID 142384034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).