4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole

C10H16FN3 — CID 154991934

IUPAC4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole
SMILESCCc1cnn(C2CN(C)CC2F)c1
InChIInChI=1S/C10H16FN3/c1-3-8-4-12-14(5-8)10-7-13(2)6-9(10)11/h4-5,9-10H,3,6-7H2,1-2H3
InChIKeyIZWHCBQIBMYFPD-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.27
Rot. Bonds2

About 4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole

4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole (PubChem CID 154991934) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole.

Molecular Properties

Compound Name4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole
PubChem CID154991934
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole
SMILESCCc1cnn(C2CN(C)CC2F)c1
InChIInChI=1S/C10H16FN3/c1-3-8-4-12-14(5-8)10-7-13(2)6-9(10)11/h4-5,9-10H,3,6-7H2,1-2H3
InChIKeyIZWHCBQIBMYFPD-UHFFFAOYSA-N
XLogP1.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole?
The IUPAC name of 4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole (CID 154991934) is 4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole.
What is the SMILES notation for 4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole?
The canonical SMILES for 4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole is CCc1cnn(C2CN(C)CC2F)c1.
What is the InChIKey of 4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole?
The InChIKey is IZWHCBQIBMYFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-3-8-4-12-14(5-8)10-7-13(2)6-9(10)11/h4-5,9-10H,3,6-7H2,1-2H3.
What are the key properties of 4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole?
4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole has a molecular weight of 197.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-fluoro-1-methylpyrrolidin-3-yl)pyrazole is sourced from PubChem (CID 154991934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).