3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol

C16H22N2O — CID 80699586

IUPAC3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol
SMILESCn1nc(CC2(O)CCC(C)(C)C2)c2ccccc21
InChIInChI=1S/C16H22N2O/c1-15(2)8-9-16(19,11-15)10-13-12-6-4-5-7-14(12)18(3)17-13/h4-7,19H,8-11H2,1-3H3
InChIKeyPZZVKRQGRZRSJD-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.06
Rot. Bonds2

About 3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol

3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol (PubChem CID 80699586) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol
PubChem CID80699586
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol
SMILESCn1nc(CC2(O)CCC(C)(C)C2)c2ccccc21
InChIInChI=1S/C16H22N2O/c1-15(2)8-9-16(19,11-15)10-13-12-6-4-5-7-14(12)18(3)17-13/h4-7,19H,8-11H2,1-3H3
InChIKeyPZZVKRQGRZRSJD-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol
CID 79949803
3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol
CID 80562974
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
1-[(1-methylindazol-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80610067
4-methyl-1-[(1-methylindazol-3-yl)methyl]azepan-4-ol
CID 107407849
1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone
CID 103450366
1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452206
[3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol
CID 66057482
1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79841973
1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole
CID 79451240
N-methyl-N-[(1-methylindazol-3-yl)methyl]hydroxylamine
CID 82604100
3-(cyclopropylmethyl)-1-methylindazole
CID 142276732

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol (CID 80699586) is 3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol is Cn1nc(CC2(O)CCC(C)(C)C2)c2ccccc21.
What is the InChIKey of 3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol?
The InChIKey is PZZVKRQGRZRSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-15(2)8-9-16(19,11-15)10-13-12-6-4-5-7-14(12)18(3)17-13/h4-7,19H,8-11H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol?
3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol has a molecular weight of 258.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 80699586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).