5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole

C11H19N3 — CID 114554671

IUPAC5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole
SMILESCCC1(Cc2ccnn2C)CCCN1
InChIInChI=1S/C11H19N3/c1-3-11(6-4-7-12-11)9-10-5-8-13-14(10)2/h5,8,12H,3-4,6-7,9H2,1-2H3
InChIKeyPJJYKGGWXBSVEF-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.49
Rot. Bonds3

About 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole

5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole (PubChem CID 114554671) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole
PubChem CID114554671
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole
SMILESCCC1(Cc2ccnn2C)CCCN1
InChIInChI=1S/C11H19N3/c1-3-11(6-4-7-12-11)9-10-5-8-13-14(10)2/h5,8,12H,3-4,6-7,9H2,1-2H3
InChIKeyPJJYKGGWXBSVEF-UHFFFAOYSA-N
XLogP1.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylimidazole
CID 79760494
2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine
CID 66468514
5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole
CID 103010977
4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole
CID 104688201
5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole
CID 66466460
2-[(2-ethylpiperidin-2-yl)methyl]phenol
CID 115058890
1-methyl-5-(2-propylpyrrolidin-2-yl)pyrazole
CID 66467391
5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 104688179
2-[(2-ethylpyrrolidin-2-yl)methyl]-5-methylpyridine
CID 104688305
3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole
CID 104688231
5,5-diethyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 103016611
5-ethyl-2-[(2-ethylpyrrolidin-2-yl)methyl]pyridine
CID 79748317

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole?
The IUPAC name of 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole (CID 114554671) is 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole.
What is the SMILES notation for 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole?
The canonical SMILES for 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole is CCC1(Cc2ccnn2C)CCCN1.
What is the InChIKey of 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole?
The InChIKey is PJJYKGGWXBSVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-11(6-4-7-12-11)9-10-5-8-13-14(10)2/h5,8,12H,3-4,6-7,9H2,1-2H3.
What are the key properties of 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole?
5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole has a molecular weight of 193.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole is sourced from PubChem (CID 114554671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).