1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole

C22H18N4 — CID 11089049

IUPAC1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole
SMILESc1ccc2c(Cn3cccn3)c3ccccc3c(Cn3cccn3)c2c1
InChIInChI=1S/C22H18N4/c1-2-8-18-17(7-1)21(15-25-13-5-11-23-25)19-9-3-4-10-20(19)22(18)16-26-14-6-12-24-26/h1-14H,15-16H2
InChIKeyUESLECJXCYXILE-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.48
Rot. Bonds4

About 1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole

1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole (PubChem CID 11089049) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole
PubChem CID11089049
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole
SMILESc1ccc2c(Cn3cccn3)c3ccccc3c(Cn3cccn3)c2c1
InChIInChI=1S/C22H18N4/c1-2-8-18-17(7-1)21(15-25-13-5-11-23-25)19-9-3-4-10-20(19)22(18)16-26-14-6-12-24-26/h1-14H,15-16H2
InChIKeyUESLECJXCYXILE-UHFFFAOYSA-N
XLogP4.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.48
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

4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
1-[[4-(1-Methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole
CID 151105657
1-[[4-(1-Methylpyrazol-4-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]triazole
CID 151428103
4-(3-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152015157
1-(Naphthalen-2-ylmethyl)-4-(4-pentylphenyl)triazole
CID 24789340
1-(Naphthalen-2-ylmethyl)-4-[4-[1-(naphthalen-2-ylmethyl)triazol-4-yl]butyl]triazole
CID 71740605
3-(1-Ethyl-3-naphthalen-1-ylpyrazol-5-yl)pyridazine
CID 137647926
3-(1-Methyl-3-naphthalen-1-ylpyrazol-5-yl)pyridazine
CID 137661221
N-ethyl-N-{[3-(1-naphthyl)-1H-pyrazol-4-yl]methyl}-2-(1H-pyrazol-1-yl)ethanamine
CID 16188656
4-[2-Ethyl-4-[3-(naphthalen-2-ylmethyl)triazol-4-yl]phenyl]-1-(2-methylpropyl)triazole
CID 46902865
4-(5-(naphthalen-2-yl)-2,5-dihydro-1H-pyrazol-1-yl)pyridine
CID 54585291
4-(2-Naphthalenyl)-1-(phenylmethyl)-1H-1,2,3-triazole
CID 101469372

Frequently Asked Questions

What is the IUPAC name of 1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole?
The IUPAC name of 1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole (CID 11089049) is 1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole.
What is the SMILES notation for 1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole?
The canonical SMILES for 1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole is c1ccc2c(Cn3cccn3)c3ccccc3c(Cn3cccn3)c2c1.
What is the InChIKey of 1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole?
The InChIKey is UESLECJXCYXILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-2-8-18-17(7-1)21(15-25-13-5-11-23-25)19-9-3-4-10-20(19)22(18)16-26-14-6-12-24-26/h1-14H,15-16H2.
What are the key properties of 1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole?
1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole has a molecular weight of 338.41 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[10-(pyrazol-1-ylmethyl)anthracen-9-yl]methyl]pyrazole is sourced from PubChem (CID 11089049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).