3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole

C19H24F3N3O — CID 95831308

IUPAC3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
SMILESCCCN1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1
InChIInChI=1S/C19H24F3N3O/c1-2-9-25-10-7-14(13-25)18-12-16(23-24-18)8-11-26-17-5-3-15(4-6-17)19(20,21)22/h3-6,12,14H,2,7-11,13H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyDJJGZALKFKINQI-CQSZACIVSA-N
MW367.42 g/mol
LogP4.25
Rot. Bonds7

About 3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole

3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole (PubChem CID 95831308) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is 3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole.

Molecular Properties

Compound Name3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
PubChem CID95831308
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
SMILESCCCN1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1
InChIInChI=1S/C19H24F3N3O/c1-2-9-25-10-7-14(13-25)18-12-16(23-24-18)8-11-26-17-5-3-15(4-6-17)19(20,21)22/h3-6,12,14H,2,7-11,13H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyDJJGZALKFKINQI-CQSZACIVSA-N
XLogP4.25
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole?
The IUPAC name of 3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole (CID 95831308) is 3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole.
What is the SMILES notation for 3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole?
The canonical SMILES for 3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole is CCCN1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1.
What is the InChIKey of 3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole?
The InChIKey is DJJGZALKFKINQI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-2-9-25-10-7-14(13-25)18-12-16(23-24-18)8-11-26-17-5-3-15(4-6-17)19(20,21)22/h3-6,12,14H,2,7-11,13H2,1H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole?
3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole has a molecular weight of 367.42 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole is sourced from PubChem (CID 95831308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).