5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole

C10H17N3 — CID 114554261

IUPAC5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole
SMILESCCC1NCCC1c1ccnn1C
InChIInChI=1S/C10H17N3/c1-3-9-8(4-6-11-9)10-5-7-12-13(10)2/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyKFCQMSBMQVXQEW-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.28
Rot. Bonds2

About 5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole

5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole (PubChem CID 114554261) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole
PubChem CID114554261
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole
SMILESCCC1NCCC1c1ccnn1C
InChIInChI=1S/C10H17N3/c1-3-9-8(4-6-11-9)10-5-7-12-13(10)2/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyKFCQMSBMQVXQEW-UHFFFAOYSA-N
XLogP1.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole?
The IUPAC name of 5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole (CID 114554261) is 5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole.
What is the SMILES notation for 5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole?
The canonical SMILES for 5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole is CCC1NCCC1c1ccnn1C.
What is the InChIKey of 5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole?
The InChIKey is KFCQMSBMQVXQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-9-8(4-6-11-9)10-5-7-12-13(10)2/h5,7-9,11H,3-4,6H2,1-2H3.
What are the key properties of 5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole?
5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole has a molecular weight of 179.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole is sourced from PubChem (CID 114554261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).