1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol

C60H52N8O4 — CID 159134158

IUPAC1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol
SMILESCc1ccc(-n2cc3cc(C=O)ccc3n2)cc1.Cc1ccc(-n2cc3cc(CO)ccc3n2)cc1.Cc1ccc(-n2ncc3cc(C=O)ccc32)cc1.Cc1ccc(-n2ncc3cc(CO)ccc32)cc1
InChIInChI=1S/C15H14N2O.C15H12N2O.C15H14N2O.C15H12N2O/c2*1-11-2-5-14(6-3-11)17-9-13-8-12(10-18)4-7-15(13)16-17;2*1-11-2-5-14(6-3-11)17-15-7-4-12(10-18)8-13(15)9-16-17/h2-9,18H,10H2,1H3;2-10H,1H3;2-9,18H,10H2,1H3;2-10H,1H3
InChIKeyKHGPHRZRAVQGBB-UHFFFAOYSA-N
MW949.13 g/mol
LogP11.95
Rot. Bonds8

About 1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol

1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol (PubChem CID 159134158) has the molecular formula C60H52N8O4 and a molecular weight of 949.13 g/mol. Its IUPAC name is 1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol.

Molecular Properties

Compound Name1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol
PubChem CID159134158
Molecular FormulaC60H52N8O4
Molecular Weight949.13 g/mol
Exact Mass948.41
IUPAC Name1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol
SMILESCc1ccc(-n2cc3cc(C=O)ccc3n2)cc1.Cc1ccc(-n2cc3cc(CO)ccc3n2)cc1.Cc1ccc(-n2ncc3cc(C=O)ccc32)cc1.Cc1ccc(-n2ncc3cc(CO)ccc32)cc1
InChIInChI=1S/C15H14N2O.C15H12N2O.C15H14N2O.C15H12N2O/c2*1-11-2-5-14(6-3-11)17-9-13-8-12(10-18)4-7-15(13)16-17;2*1-11-2-5-14(6-3-11)17-15-7-4-12(10-18)8-13(15)9-16-17/h2-9,18H,10H2,1H3;2-10H,1H3;2-9,18H,10H2,1H3;2-10H,1H3
InChIKeyKHGPHRZRAVQGBB-UHFFFAOYSA-N
XLogP11.95
TPSA145.88 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.13
LogP ≤ 511.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 157552402
1-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-3a,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 159198961
Magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide
CID 159485010
1H-indole;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol
CID 159665060
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 159791665
Magnesium;benzene;bis(dichloromethane);1-(4-fluorophenyl)indazole-5-carbaldehyde;1-(4-fluorophenyl)indazole-5-carbonitrile;methane;oxolane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-phenylethanol;bromide
CID 160059289
1-(2,4-Difluorophenyl)indole-5-carboxylic acid;1-phenylindazole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid
CID 160360003
1-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 161380756
1-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]-3a,7a-dihydroindazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 161444417
Magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindazole-5-carbaldehyde;1-phenylindazole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindazol-5-yl)ethanol;bromide
CID 161660541
1-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 162192653
4-[4-[(E)-[(4-fluoro-3-methylphenyl)hydrazinylidene]methyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid;bis(4-[4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid);4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-4-[(E)-[(2,3,6-trifluoro-5-methylphenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid
CID 172917838

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol?
The IUPAC name of 1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol (CID 159134158) is 1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol.
What is the SMILES notation for 1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol?
The canonical SMILES for 1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol is Cc1ccc(-n2cc3cc(C=O)ccc3n2)cc1.Cc1ccc(-n2cc3cc(CO)ccc3n2)cc1.Cc1ccc(-n2ncc3cc(C=O)ccc32)cc1.Cc1ccc(-n2ncc3cc(CO)ccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol?
The InChIKey is KHGPHRZRAVQGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O.C15H12N2O.C15H14N2O.C15H12N2O/c2*1-11-2-5-14(6-3-11)17-9-13-8-12(10-18)4-7-15(13)16-17;2*1-11-2-5-14(6-3-11)17-15-7-4-12(10-18)8-13(15)9-16-17/h2-9,18H,10H2,1H3;2-10H,1H3;2-9,18H,10H2,1H3;2-10H,1H3.
What are the key properties of 1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol?
1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol has a molecular weight of 949.13 g/mol, XLogP of 11.95, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)indazole-5-carbaldehyde;2-(4-methylphenyl)indazole-5-carbaldehyde;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol is sourced from PubChem (CID 159134158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).