1-[(2,5-dimethylphenyl)methyl]indazole

C16H16N2 — CID 6625623

IUPAC1-[(2,5-dimethylphenyl)methyl]indazole
SMILESCc1ccc(C)c(Cn2ncc3ccccc32)c1
InChIInChI=1S/C16H16N2/c1-12-7-8-13(2)15(9-12)11-18-16-6-4-3-5-14(16)10-17-18/h3-10H,11H2,1-2H3
InChIKeyGNFFFGZVWNJEDW-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.70
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)methyl]indazole

1-[(2,5-dimethylphenyl)methyl]indazole (PubChem CID 6625623) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]indazole.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]indazole
PubChem CID6625623
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1-[(2,5-dimethylphenyl)methyl]indazole
SMILESCc1ccc(C)c(Cn2ncc3ccccc32)c1
InChIInChI=1S/C16H16N2/c1-12-7-8-13(2)15(9-12)11-18-16-6-4-3-5-14(16)10-17-18/h3-10H,11H2,1-2H3
InChIKeyGNFFFGZVWNJEDW-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]indazole?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]indazole (CID 6625623) is 1-[(2,5-dimethylphenyl)methyl]indazole.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]indazole?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]indazole is Cc1ccc(C)c(Cn2ncc3ccccc32)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]indazole?
The InChIKey is GNFFFGZVWNJEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-7-8-13(2)15(9-12)11-18-16-6-4-3-5-14(16)10-17-18/h3-10H,11H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]indazole?
1-[(2,5-dimethylphenyl)methyl]indazole has a molecular weight of 236.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]indazole is sourced from PubChem (CID 6625623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).