[(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol

C9H14N2O — CID 141417459

IUPAC[(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol
SMILESC[C@@H]1Cc2cn[nH]c2C[C@@H]1CO
InChIInChI=1S/C9H14N2O/c1-6-2-7-4-10-11-9(7)3-8(6)5-12/h4,6,8,12H,2-3,5H2,1H3,(H,10,11)/t6-,8-/m1/s1
InChIKeyVZIKVKSKIRVMEI-HTRCEHHLSA-N
MW166.22 g/mol
LogP0.75
Rot. Bonds1

About [(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol

[(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol (PubChem CID 141417459) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is [(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol.

Molecular Properties

Compound Name[(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol
PubChem CID141417459
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name[(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol
SMILESC[C@@H]1Cc2cn[nH]c2C[C@@H]1CO
InChIInChI=1S/C9H14N2O/c1-6-2-7-4-10-11-9(7)3-8(6)5-12/h4,6,8,12H,2-3,5H2,1H3,(H,10,11)/t6-,8-/m1/s1
InChIKeyVZIKVKSKIRVMEI-HTRCEHHLSA-N
XLogP0.75
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

17alpha-Demethylated stanozolol
CID 11897297
4,5,6,7-tetrahydro-1H-indazol-5-ol
CID 55254748
3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol
CID 14539780
(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanol
CID 155978058
(2S)-2-[(1S,2R,13S,14S,17R,18S)-2,9,9,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-yl]propan-1-ol
CID 177659221
2,18-Dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol
CID 4919550
ethanol;(1S,2S,10S,13R,14S,17S,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol
CID 139147334
(10aS,12aS)-10a,12a-dimethyl-1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol
CID 5294399
4,5,6,7-tetrahydro-1H-indazol-5-ylmethanol
CID 55253391
6-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 58395147
5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 59550085
(17S)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol
CID 67978933

Frequently Asked Questions

What is the IUPAC name of [(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol?
The IUPAC name of [(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol (CID 141417459) is [(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol.
What is the SMILES notation for [(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol?
The canonical SMILES for [(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol is C[C@@H]1Cc2cn[nH]c2C[C@@H]1CO.
What is the InChIKey of [(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol?
The InChIKey is VZIKVKSKIRVMEI-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-2-7-4-10-11-9(7)3-8(6)5-12/h4,6,8,12H,2-3,5H2,1H3,(H,10,11)/t6-,8-/m1/s1.
What are the key properties of [(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol?
[(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol has a molecular weight of 166.22 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanol is sourced from PubChem (CID 141417459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).