ethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol

C18H31N3O — CID 144811713

IUPACethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESC.CC.Cn1ncc2cc(C(O)CCN3CCCC3)ccc21
InChIInChI=1S/C15H21N3O.C2H6.CH4/c1-17-14-5-4-12(10-13(14)11-16-17)15(19)6-9-18-7-2-3-8-18;1-2;/h4-5,10-11,15,19H,2-3,6-9H2,1H3;1-2H3;1H4
InChIKeyBMAOQMQODOSNDM-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.75
Rot. Bonds4

About ethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol

ethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 144811713) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is ethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Nameethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID144811713
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Nameethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESC.CC.Cn1ncc2cc(C(O)CCN3CCCC3)ccc21
InChIInChI=1S/C15H21N3O.C2H6.CH4/c1-17-14-5-4-12(10-13(14)11-16-17)15(19)6-9-18-7-2-3-8-18;1-2;/h4-5,10-11,15,19H,2-3,6-9H2,1H3;1-2H3;1H4
InChIKeyBMAOQMQODOSNDM-UHFFFAOYSA-N
XLogP3.75
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of ethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol (CID 144811713) is ethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for ethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for ethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol is C.CC.Cn1ncc2cc(C(O)CCN3CCCC3)ccc21.
What is the InChIKey of ethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is BMAOQMQODOSNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.C2H6.CH4/c1-17-14-5-4-12(10-13(14)11-16-17)15(19)6-9-18-7-2-3-8-18;1-2;/h4-5,10-11,15,19H,2-3,6-9H2,1H3;1-2H3;1H4.
What are the key properties of ethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol?
ethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 305.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-(1-methylindazol-5-yl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 144811713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).