4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol

C18H26N2O — CID 115813749

IUPAC4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol
SMILESCCn1nc(CC(O)CCC2CCCC2)c2ccccc21
InChIInChI=1S/C18H26N2O/c1-2-20-18-10-6-5-9-16(18)17(19-20)13-15(21)12-11-14-7-3-4-8-14/h5-6,9-10,14-15,21H,2-4,7-8,11-13H2,1H3
InChIKeyUDVXPYCAHAYGDT-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.93
Rot. Bonds6

About 4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol

4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol (PubChem CID 115813749) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol
PubChem CID115813749
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol
SMILESCCn1nc(CC(O)CCC2CCCC2)c2ccccc21
InChIInChI=1S/C18H26N2O/c1-2-20-18-10-6-5-9-16(18)17(19-20)13-15(21)12-11-14-7-3-4-8-14/h5-6,9-10,14-15,21H,2-4,7-8,11-13H2,1H3
InChIKeyUDVXPYCAHAYGDT-UHFFFAOYSA-N
XLogP3.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol
CID 79087674
1-(1-ethylindazol-3-yl)-4-methylhexan-2-ol
CID 115813664
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 115818515
1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712988
(1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine
CID 81395194
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol
CID 106506896
2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol
CID 66059172
3-[2-(chloromethyl)pentyl]-1-ethylindazole
CID 66036339
(3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine
CID 113282469

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol?
The IUPAC name of 4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol (CID 115813749) is 4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol.
What is the SMILES notation for 4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol?
The canonical SMILES for 4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol is CCn1nc(CC(O)CCC2CCCC2)c2ccccc21.
What is the InChIKey of 4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol?
The InChIKey is UDVXPYCAHAYGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-20-18-10-6-5-9-16(18)17(19-20)13-15(21)12-11-14-7-3-4-8-14/h5-6,9-10,14-15,21H,2-4,7-8,11-13H2,1H3.
What are the key properties of 4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol?
4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol has a molecular weight of 286.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol is sourced from PubChem (CID 115813749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).