(1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole

C13H25N3O — CID 164922492

IUPAC(1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole
SMILESCCN1CCCC1(CC)CO.Cn1cccn1
InChIInChI=1S/C9H19NO.C4H6N2/c1-3-9(8-11)6-5-7-10(9)4-2;1-6-4-2-3-5-6/h11H,3-8H2,1-2H3;2-4H,1H3
InChIKeyDVKTVXQTWKCJGN-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.66
Rot. Bonds3

About (1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole

(1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole (PubChem CID 164922492) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole.

Molecular Properties

Compound Name(1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole
PubChem CID164922492
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole
SMILESCCN1CCCC1(CC)CO.Cn1cccn1
InChIInChI=1S/C9H19NO.C4H6N2/c1-3-9(8-11)6-5-7-10(9)4-2;1-6-4-2-3-5-6/h11H,3-8H2,1-2H3;2-4H,1H3
InChIKeyDVKTVXQTWKCJGN-UHFFFAOYSA-N
XLogP1.66
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole?
The IUPAC name of (1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole (CID 164922492) is (1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole.
What is the SMILES notation for (1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole?
The canonical SMILES for (1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole is CCN1CCCC1(CC)CO.Cn1cccn1.
What is the InChIKey of (1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole?
The InChIKey is DVKTVXQTWKCJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C4H6N2/c1-3-9(8-11)6-5-7-10(9)4-2;1-6-4-2-3-5-6/h11H,3-8H2,1-2H3;2-4H,1H3.
What are the key properties of (1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole?
(1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole has a molecular weight of 239.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-diethylpyrrolidin-2-yl)methanol;1-methylpyrazole is sourced from PubChem (CID 164922492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).