1-methyl-3-phenylindazole-7-carbaldehyde

C15H12N2O — CID 105497737

IUPAC1-methyl-3-phenylindazole-7-carbaldehyde
SMILESCn1nc(-c2ccccc2)c2cccc(C=O)c21
InChIInChI=1S/C15H12N2O/c1-17-15-12(10-18)8-5-9-13(15)14(16-17)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyBNXXGRMAMOVWCC-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.05
Rot. Bonds2

About 1-methyl-3-phenylindazole-7-carbaldehyde

1-methyl-3-phenylindazole-7-carbaldehyde (PubChem CID 105497737) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-methyl-3-phenylindazole-7-carbaldehyde.

Molecular Properties

Compound Name1-methyl-3-phenylindazole-7-carbaldehyde
PubChem CID105497737
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-methyl-3-phenylindazole-7-carbaldehyde
SMILESCn1nc(-c2ccccc2)c2cccc(C=O)c21
InChIInChI=1S/C15H12N2O/c1-17-15-12(10-18)8-5-9-13(15)14(16-17)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyBNXXGRMAMOVWCC-UHFFFAOYSA-N
XLogP3.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazole-7-carbaldehyde
CID 170433632
1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
CID 43324290
1-methylindole-3,7-dicarbaldehyde
CID 59731130
2,3-dimethylindazole-7-carbaldehyde
CID 84717517
2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde
CID 164915849
1-(2-fluoroethyl)-3-phenylpyrazole-4-carbaldehyde
CID 121213528
3-bromo-2-methylindazole-7-carbaldehyde
CID 84727881
3-methylbenzimidazole-4-carbaldehyde
CID 82415600
1-ethyl-3-methylindazole-7-carbaldehyde
CID 84719161
1-methyl-3-oxo-2H-indazole-7-carbaldehyde
CID 105436370
1-methyl-3-phenylthieno[3,2-d]pyrazole
CID 82017669
4-ethyl-1-methyl-3,5-diphenylpyrazole
CID 21441230

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylindazole-7-carbaldehyde?
The IUPAC name of 1-methyl-3-phenylindazole-7-carbaldehyde (CID 105497737) is 1-methyl-3-phenylindazole-7-carbaldehyde.
What is the SMILES notation for 1-methyl-3-phenylindazole-7-carbaldehyde?
The canonical SMILES for 1-methyl-3-phenylindazole-7-carbaldehyde is Cn1nc(-c2ccccc2)c2cccc(C=O)c21.
What is the InChIKey of 1-methyl-3-phenylindazole-7-carbaldehyde?
The InChIKey is BNXXGRMAMOVWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-17-15-12(10-18)8-5-9-13(15)14(16-17)11-6-3-2-4-7-11/h2-10H,1H3.
What are the key properties of 1-methyl-3-phenylindazole-7-carbaldehyde?
1-methyl-3-phenylindazole-7-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylindazole-7-carbaldehyde is sourced from PubChem (CID 105497737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).