3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole

C12H20FN3 — CID 106640361

IUPAC3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(CC(F)C2CCCN2)n1
InChIInChI=1S/C12H20FN3/c1-9(2)16-7-5-10(15-16)8-11(13)12-4-3-6-14-12/h5,7,9,11-12,14H,3-4,6,8H2,1-2H3
InChIKeyDIWLFGWXRXTQOJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.10
Rot. Bonds4

About 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole

3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole (PubChem CID 106640361) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole
PubChem CID106640361
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(CC(F)C2CCCN2)n1
InChIInChI=1S/C12H20FN3/c1-9(2)16-7-5-10(15-16)8-11(13)12-4-3-6-14-12/h5,7,9,11-12,14H,3-4,6,8H2,1-2H3
InChIKeyDIWLFGWXRXTQOJ-UHFFFAOYSA-N
XLogP2.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 106634943
3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole
CID 106640582
3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 112565371
1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole
CID 130787739
2-(2-fluoro-2-pyrrolidin-2-ylethyl)quinoline
CID 106640483
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole
CID 106640178
3,7-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepane
CID 64871956
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64771238
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine
CID 69311321
N,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773528

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole?
The IUPAC name of 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole (CID 106640361) is 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole is CC(C)n1ccc(CC(F)C2CCCN2)n1.
What is the InChIKey of 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole?
The InChIKey is DIWLFGWXRXTQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-9(2)16-7-5-10(15-16)8-11(13)12-4-3-6-14-12/h5,7,9,11-12,14H,3-4,6,8H2,1-2H3.
What are the key properties of 3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole?
3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole has a molecular weight of 225.31 g/mol, XLogP of 2.10, 4 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-propan-2-ylpyrazole is sourced from PubChem (CID 106640361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).