5-anthracen-9-yl-1-methylpyrazole

C18H14N2 — CID 134835386

IUPAC5-anthracen-9-yl-1-methylpyrazole
SMILESCn1nccc1-c1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H14N2/c1-20-17(10-11-19-20)18-15-8-4-2-6-13(15)12-14-7-3-5-9-16(14)18/h2-12H,1H3
InChIKeyBQHBCWSDVCLNOI-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.39
Rot. Bonds1

About 5-anthracen-9-yl-1-methylpyrazole

5-anthracen-9-yl-1-methylpyrazole (PubChem CID 134835386) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-anthracen-9-yl-1-methylpyrazole.

Molecular Properties

Compound Name5-anthracen-9-yl-1-methylpyrazole
PubChem CID134835386
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name5-anthracen-9-yl-1-methylpyrazole
SMILESCn1nccc1-c1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H14N2/c1-20-17(10-11-19-20)18-15-8-4-2-6-13(15)12-14-7-3-5-9-16(14)18/h2-12H,1H3
InChIKeyBQHBCWSDVCLNOI-UHFFFAOYSA-N
XLogP4.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile
CID 173078180
2,4,6-tri(anthracen-9-yl)-1,3,5-triazine
CID 59336460
3-chloro-5-(2-methylpyrazol-3-yl)pyridine
CID 140655904
5-(2-chloro-6-fluorophenyl)-1-methylpyrazole
CID 175129840
9-anthracen-9-ylanthracene;toluene
CID 86148014
acetonitrile;9-anthracen-9-ylanthracene
CID 71362371
2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine
CID 131973884
2-anthracen-9-yl-3-methylimidazo[4,5-f][1,10]phenanthroline
CID 58995814
3-chloro-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 154877995
5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole
CID 68557926
5-(3,4-dichlorophenyl)-1-methylpyrazole
CID 71232464
2-anthracen-9-yl-6-methylpyridine
CID 144659337

Frequently Asked Questions

What is the IUPAC name of 5-anthracen-9-yl-1-methylpyrazole?
The IUPAC name of 5-anthracen-9-yl-1-methylpyrazole (CID 134835386) is 5-anthracen-9-yl-1-methylpyrazole.
What is the SMILES notation for 5-anthracen-9-yl-1-methylpyrazole?
The canonical SMILES for 5-anthracen-9-yl-1-methylpyrazole is Cn1nccc1-c1c2ccccc2cc2ccccc12.
What is the InChIKey of 5-anthracen-9-yl-1-methylpyrazole?
The InChIKey is BQHBCWSDVCLNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-20-17(10-11-19-20)18-15-8-4-2-6-13(15)12-14-7-3-5-9-16(14)18/h2-12H,1H3.
What are the key properties of 5-anthracen-9-yl-1-methylpyrazole?
5-anthracen-9-yl-1-methylpyrazole has a molecular weight of 258.32 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anthracen-9-yl-1-methylpyrazole is sourced from PubChem (CID 134835386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).