1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde

C16H13ClN2O — CID 86652367

IUPAC1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde
SMILESCc1cc(Cl)ccc1Cn1nc(C=O)c2ccccc21
InChIInChI=1S/C16H13ClN2O/c1-11-8-13(17)7-6-12(11)9-19-16-5-3-2-4-14(16)15(10-20)18-19/h2-8,10H,9H2,1H3
InChIKeyARSJOSRUPLZMCP-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.86
Rot. Bonds3

About 1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde

1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde (PubChem CID 86652367) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde
PubChem CID86652367
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde
SMILESCc1cc(Cl)ccc1Cn1nc(C=O)c2ccccc21
InChIInChI=1S/C16H13ClN2O/c1-11-8-13(17)7-6-12(11)9-19-16-5-3-2-4-14(16)15(10-20)18-19/h2-8,10H,9H2,1H3
InChIKeyARSJOSRUPLZMCP-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.86
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

1-[(2,4-dichlorophenyl)methyl]indazole-3-carbaldehyde;[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]methanol;methane
CID 159406876
methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate
CID 76717745
(E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol
CID 69404529
(E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-methylsulfonylindazol-3-yl]prop-2-enoic acid
CID 69405368
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 11537039
1-[(4-chloro-2-prop-1-ynylphenyl)methyl]indazole-3-carboxylic acid
CID 11666981
2-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoic acid
CID 67610724
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277
1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
CID 58796837
N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
CID 104853952
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
1-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]nonan-1-one;hydrobromide
CID 160720537

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde?
The IUPAC name of 1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde (CID 86652367) is 1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde.
What is the SMILES notation for 1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde?
The canonical SMILES for 1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde is Cc1cc(Cl)ccc1Cn1nc(C=O)c2ccccc21.
What is the InChIKey of 1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde?
The InChIKey is ARSJOSRUPLZMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-8-13(17)7-6-12(11)9-19-16-5-3-2-4-14(16)15(10-20)18-19/h2-8,10H,9H2,1H3.
What are the key properties of 1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde?
1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde has a molecular weight of 284.75 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carbaldehyde is sourced from PubChem (CID 86652367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).