3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole

C10H16FN3 — CID 106640582

IUPAC3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole
SMILESCn1ccc(CC(F)C2CCCN2)n1
InChIInChI=1S/C10H16FN3/c1-14-6-4-8(13-14)7-9(11)10-3-2-5-12-10/h4,6,9-10,12H,2-3,5,7H2,1H3
InChIKeySTZNQGSZJIJYBI-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.05
Rot. Bonds3

About 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole

3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole (PubChem CID 106640582) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole
PubChem CID106640582
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole
SMILESCn1ccc(CC(F)C2CCCN2)n1
InChIInChI=1S/C10H16FN3/c1-14-6-4-8(13-14)7-9(11)10-3-2-5-12-10/h4,6,9-10,12H,2-3,5,7H2,1H3
InChIKeySTZNQGSZJIJYBI-UHFFFAOYSA-N
XLogP1.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole
CID 106640361
1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole
CID 130787739
2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 106634943
5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole
CID 106640178
2-(2-fluoro-2-pyrrolidin-2-ylethyl)quinoline
CID 106640483
2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
CID 106635030
1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876973
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025251
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 112565371
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine
CID 69311321

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole?
The IUPAC name of 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole (CID 106640582) is 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole.
What is the SMILES notation for 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole?
The canonical SMILES for 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole is Cn1ccc(CC(F)C2CCCN2)n1.
What is the InChIKey of 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole?
The InChIKey is STZNQGSZJIJYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-14-6-4-8(13-14)7-9(11)10-3-2-5-12-10/h4,6,9-10,12H,2-3,5,7H2,1H3.
What are the key properties of 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole?
3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole has a molecular weight of 197.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole is sourced from PubChem (CID 106640582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).