3-(1H-indazol-5-yl)pentan-3-ol

C12H16N2O — CID 58731273

IUPAC3-(1H-indazol-5-yl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc2[nH]ncc2c1
InChIInChI=1S/C12H16N2O/c1-3-12(15,4-2)10-5-6-11-9(7-10)8-13-14-11/h5-8,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyOGHNGYSJDTYOAE-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.57
Rot. Bonds3

About 3-(1H-indazol-5-yl)pentan-3-ol

3-(1H-indazol-5-yl)pentan-3-ol (PubChem CID 58731273) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(1H-indazol-5-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(1H-indazol-5-yl)pentan-3-ol
PubChem CID58731273
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(1H-indazol-5-yl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc2[nH]ncc2c1
InChIInChI=1S/C12H16N2O/c1-3-12(15,4-2)10-5-6-11-9(7-10)8-13-14-11/h5-8,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyOGHNGYSJDTYOAE-UHFFFAOYSA-N
XLogP2.57
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indazol-5-yl)-2-methylpropan-1-ol
CID 117281905
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole
CID 138396393
6-(2-methylbutan-2-yl)-1H-indazole
CID 89048123
ethane;5-methyl-1H-indazole
CID 178026047
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
3-(2H-benzotriazol-5-yl)pentan-3-ol
CID 58731201
5-tert-butyl-1H-indazole;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole)
CID 161259846
5-dodecyl-1H-indazole
CID 67799721
1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol
CID 162582582
N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide
CID 22933798
1H-indazole-5-thiolate
CID 51922109
5-(methoxymethyl)-1H-indazole
CID 123206066

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-yl)pentan-3-ol?
The IUPAC name of 3-(1H-indazol-5-yl)pentan-3-ol (CID 58731273) is 3-(1H-indazol-5-yl)pentan-3-ol.
What is the SMILES notation for 3-(1H-indazol-5-yl)pentan-3-ol?
The canonical SMILES for 3-(1H-indazol-5-yl)pentan-3-ol is CCC(O)(CC)c1ccc2[nH]ncc2c1.
What is the InChIKey of 3-(1H-indazol-5-yl)pentan-3-ol?
The InChIKey is OGHNGYSJDTYOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-12(15,4-2)10-5-6-11-9(7-10)8-13-14-11/h5-8,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-(1H-indazol-5-yl)pentan-3-ol?
3-(1H-indazol-5-yl)pentan-3-ol has a molecular weight of 204.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-yl)pentan-3-ol is sourced from PubChem (CID 58731273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).