1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole

C10H14F3N3 — CID 70851928

IUPAC1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1C1CCCN1
InChIInChI=1S/C10H14F3N3/c1-2-16-8(7-4-3-5-14-7)6-9(15-16)10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyWGSXCWAMKQVYNG-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.35
Rot. Bonds2

About 1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole

1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 70851928) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID70851928
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1C1CCCN1
InChIInChI=1S/C10H14F3N3/c1-2-16-8(7-4-3-5-14-7)6-9(15-16)10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyWGSXCWAMKQVYNG-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole (CID 70851928) is 1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole is CCn1nc(C(F)(F)F)cc1C1CCCN1.
What is the InChIKey of 1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is WGSXCWAMKQVYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-2-16-8(7-4-3-5-14-7)6-9(15-16)10(11,12)13/h6-7,14H,2-5H2,1H3.
What are the key properties of 1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole?
1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 233.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 70851928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).