ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol

C11H21N3O — CID 178114878

IUPACethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol
SMILESCC.CN1CCC(O)(c2ccnn2C)C1
InChIInChI=1S/C9H15N3O.C2H6/c1-11-6-4-9(13,7-11)8-3-5-10-12(8)2;1-2/h3,5,13H,4,6-7H2,1-2H3;1-2H3
InChIKeyHNDVVGADFCNKMA-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.97
Rot. Bonds1

About ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol

ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol (PubChem CID 178114878) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol
PubChem CID178114878
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Nameethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol
SMILESCC.CN1CCC(O)(c2ccnn2C)C1
InChIInChI=1S/C9H15N3O.C2H6/c1-11-6-4-9(13,7-11)8-3-5-10-12(8)2;1-2/h3,5,13H,4,6-7H2,1-2H3;1-2H3
InChIKeyHNDVVGADFCNKMA-UHFFFAOYSA-N
XLogP0.97
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol?
The IUPAC name of ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol (CID 178114878) is ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol?
The canonical SMILES for ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol is CC.CN1CCC(O)(c2ccnn2C)C1.
What is the InChIKey of ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol?
The InChIKey is HNDVVGADFCNKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.C2H6/c1-11-6-4-9(13,7-11)8-3-5-10-12(8)2;1-2/h3,5,13H,4,6-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol?
ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol has a molecular weight of 211.31 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 178114878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).