2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate

C18H26N2O4 — CID 177065402

IUPAC2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate
SMILESCOC(=O)c1cc2cn[nH]c2cc1OC.OCCC1CCCCC1
InChIInChI=1S/C10H10N2O3.C8H16O/c1-14-9-4-8-6(5-11-12-8)3-7(9)10(13)15-2;9-7-6-8-4-2-1-3-5-8/h3-5H,1-2H3,(H,11,12);8-9H,1-7H2
InChIKeyLBKZCNUQUJWBRU-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.31
Rot. Bonds4

About 2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate

2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate (PubChem CID 177065402) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate.

Molecular Properties

Compound Name2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate
PubChem CID177065402
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate
SMILESCOC(=O)c1cc2cn[nH]c2cc1OC.OCCC1CCCCC1
InChIInChI=1S/C10H10N2O3.C8H16O/c1-14-9-4-8-6(5-11-12-8)3-7(9)10(13)15-2;9-7-6-8-4-2-1-3-5-8/h3-5H,1-2H3,(H,11,12);8-9H,1-7H2
InChIKeyLBKZCNUQUJWBRU-UHFFFAOYSA-N
XLogP3.31
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-[4-[(E)-1-(4-methoxy-1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 89820014
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630304
(4-butoxy-2H-indazol-5-yl)-(2,6-difluoro-4-methylphenyl)methanone
CID 137629369
3-benzyl-6-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630347
6-Hydroxy-1H-indazole-5-carboxylic acid
CID 135742459
6-Methoxy-1H-indazole-5-carboxylic acid
CID 53399334
4-methoxy-1H-indazole-7-carboxylic acid
CID 105445677
N-benzyl-6-methoxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630335
3-(3-Fluoro-phenyl)-6-methoxy-1H-indazole-5-carboxylic Acid
CID 22260956
3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carboxylic acid
CID 22260957
N'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide
CID 46179634
3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide
CID 58582175

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate?
The IUPAC name of 2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate (CID 177065402) is 2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate.
What is the SMILES notation for 2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate?
The canonical SMILES for 2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate is COC(=O)c1cc2cn[nH]c2cc1OC.OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate?
The InChIKey is LBKZCNUQUJWBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3.C8H16O/c1-14-9-4-8-6(5-11-12-8)3-7(9)10(13)15-2;9-7-6-8-4-2-1-3-5-8/h3-5H,1-2H3,(H,11,12);8-9H,1-7H2.
What are the key properties of 2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate?
2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate is sourced from PubChem (CID 177065402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).