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

C62H56N8O6 — CID 160779715

IUPACmethyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol
SMILESCOC(=O)c1ccc2c(cnn2-c2ccc(C)cc2)c1.COC(=O)c1ccc2nn(-c3ccc(C)cc3)cc2c1.Cc1ccc(-n2cc3cc(CO)ccc3n2)cc1.Cc1ccc(-n2ncc3cc(CO)ccc32)cc1
InChIInChI=1S/2C16H14N2O2.2C15H14N2O/c1-11-3-6-14(7-4-11)18-10-13-9-12(16(19)20-2)5-8-15(13)17-18;1-11-3-6-14(7-4-11)18-15-8-5-12(16(19)20-2)9-13(15)10-17-18;1-11-2-5-14(6-3-11)17-9-13-8-12(10-18)4-7-15(13)16-17;1-11-2-5-14(6-3-11)17-15-7-4-12(10-18)8-13(15)9-16-17/h2*3-10H,1-2H3;2*2-9,18H,10H2,1H3
InChIKeySAKIPLWFOLDDQN-UHFFFAOYSA-N
MW1009.18 g/mol
LogP11.89
Rot. Bonds8

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

methyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol (PubChem CID 160779715) has the molecular formula C62H56N8O6 and a molecular weight of 1009.18 g/mol. Its IUPAC name is methyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol.

Molecular Properties

Compound Namemethyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol
PubChem CID160779715
Molecular FormulaC62H56N8O6
Molecular Weight1009.18 g/mol
Exact Mass1008.43
IUPAC Namemethyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol
SMILESCOC(=O)c1ccc2c(cnn2-c2ccc(C)cc2)c1.COC(=O)c1ccc2nn(-c3ccc(C)cc3)cc2c1.Cc1ccc(-n2cc3cc(CO)ccc3n2)cc1.Cc1ccc(-n2ncc3cc(CO)ccc32)cc1
InChIInChI=1S/2C16H14N2O2.2C15H14N2O/c1-11-3-6-14(7-4-11)18-10-13-9-12(16(19)20-2)5-8-15(13)17-18;1-11-3-6-14(7-4-11)18-15-8-5-12(16(19)20-2)9-13(15)10-17-18;1-11-2-5-14(6-3-11)17-9-13-8-12(10-18)4-7-15(13)16-17;1-11-2-5-14(6-3-11)17-15-7-4-12(10-18)8-13(15)9-16-17/h2*3-10H,1-2H3;2*2-9,18H,10H2,1H3
InChIKeySAKIPLWFOLDDQN-UHFFFAOYSA-N
XLogP11.89
TPSA164.34 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001009.18
LogP ≤ 511.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze methyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol with MolForge

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Related Compounds

CID 146001223
CID 146001223
CID 145999743
CID 145999743
ethyl 4-(5-benzyl-2H-indazol-2-yl)-3-fluorobenzoate
CID 58415378
benzyl 4-(5-benzyl-2H-indazol-2-yl)-3-fluorobenzoate
CID 58415386
Butyl 4-(5-benzylindazol-2-yl)-3-fluorobenzoate
CID 68238968
Ethyl 3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-7-yl]benzoate;3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-7-yl]benzoic acid
CID 87301894
1-[[1-(2-Methylpropyl)-5-(trifluoromethyl)indazol-7-yl]methyl]indazole-5-carboxylic acid
CID 118251574
1-(5-Fluoro-1-isobutyl-1H-indazol-7-ylmethyl)-1H-indazole-5-carboxylic acid methyl ester
CID 118251582
1-[[5-Fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid
CID 118251617
Methyl 1-[[1-(2-methylpropyl)-5-(trifluoromethyl)indazol-7-yl]methyl]indazole-5-carboxylate
CID 118251651
2-[1-[3,5-Dimethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]butyl]indazole-5-carboxylic acid
CID 141508255
1-[1-[3,5-Dimethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]butyl]indazole-5-carboxylic acid
CID 141508265

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol?
The IUPAC name of methyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol (CID 160779715) is methyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol.
What is the SMILES notation for methyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol?
The canonical SMILES for methyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol is COC(=O)c1ccc2c(cnn2-c2ccc(C)cc2)c1.COC(=O)c1ccc2nn(-c3ccc(C)cc3)cc2c1.Cc1ccc(-n2cc3cc(CO)ccc3n2)cc1.Cc1ccc(-n2ncc3cc(CO)ccc32)cc1.
What is the InChIKey of methyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol?
The InChIKey is SAKIPLWFOLDDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14N2O2.2C15H14N2O/c1-11-3-6-14(7-4-11)18-10-13-9-12(16(19)20-2)5-8-15(13)17-18;1-11-3-6-14(7-4-11)18-15-8-5-12(16(19)20-2)9-13(15)10-17-18;1-11-2-5-14(6-3-11)17-9-13-8-12(10-18)4-7-15(13)16-17;1-11-2-5-14(6-3-11)17-15-7-4-12(10-18)8-13(15)9-16-17/h2*3-10H,1-2H3;2*2-9,18H,10H2,1H3.
What are the key properties of methyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol?
methyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol has a molecular weight of 1009.18 g/mol, XLogP of 11.89, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methylphenyl)indazole-5-carboxylate;methyl 2-(4-methylphenyl)indazole-5-carboxylate;[1-(4-methylphenyl)indazol-5-yl]methanol;[2-(4-methylphenyl)indazol-5-yl]methanol is sourced from PubChem (CID 160779715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).