4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole

C26H26N4 — CID 102040638

IUPAC4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1Cc1c2ccccc2c(Cc2c(C)n[nH]c2C)c2ccccc12
InChIInChI=1S/C26H26N4/c1-15-23(16(2)28-27-15)13-25-19-9-5-7-11-21(19)26(22-12-8-6-10-20(22)25)14-24-17(3)29-30-18(24)4/h5-12H,13-14H2,1-4H3,(H,27,28)(H,29,30)
InChIKeyAQWFVCCFYATZKT-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.85
Rot. Bonds4

About 4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole

4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 102040638) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole
PubChem CID102040638
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC Name4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1Cc1c2ccccc2c(Cc2c(C)n[nH]c2C)c2ccccc12
InChIInChI=1S/C26H26N4/c1-15-23(16(2)28-27-15)13-25-19-9-5-7-11-21(19)26(22-12-8-6-10-20(22)25)14-24-17(3)29-30-18(24)4/h5-12H,13-14H2,1-4H3,(H,27,28)(H,29,30)
InChIKeyAQWFVCCFYATZKT-UHFFFAOYSA-N
XLogP5.85
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-Triphenylpyrazole
CID 272614
3-(naphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 716749
3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole
CID 11089757
5-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 46861789
4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline
CID 46888160
5,5'-bis(2,4-dimethylphenyl)-1H,2'H-3,3'-bipyrazole
CID 398009
5-methyl-4-naphthalen-2-yl-1H-pyrazol-3-amine
CID 145991401
5-(Anthracen-9-yl)-1H-pyrazole
CID 21252622
3-Methylbenzindazol
CID 21609290
3-naphthalen-2-yl-5-phenyl-1H-pyrazole
CID 50992102
3-Phenyl-5-(5-phenyl-1h-pyrazol-3-yl)-1h-pyrazole
CID 388120
3-naphthalen-1-yl-5-(trifluoromethyl)-1H-pyrazole
CID 2742971

Frequently Asked Questions

What is the IUPAC name of 4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole (CID 102040638) is 4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1Cc1c2ccccc2c(Cc2c(C)n[nH]c2C)c2ccccc12.
What is the InChIKey of 4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is AQWFVCCFYATZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4/c1-15-23(16(2)28-27-15)13-25-19-9-5-7-11-21(19)26(22-12-8-6-10-20(22)25)14-24-17(3)29-30-18(24)4/h5-12H,13-14H2,1-4H3,(H,27,28)(H,29,30).
What are the key properties of 4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole?
4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 394.52 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[10-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anthracen-9-yl]methyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 102040638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).