1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole

C15H16F3N3O — CID 117125009

IUPAC1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole
SMILESFC(F)(F)c1ccccc1Oc1cnn(CC2CCCN2)c1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)13-5-1-2-6-14(13)22-12-8-20-21(10-12)9-11-4-3-7-19-11/h1-2,5-6,8,10-11,19H,3-4,7,9H2
InChIKeyFDTWLPYUGOSGOP-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.45
Rot. Bonds4

About 1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole

1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole (PubChem CID 117125009) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole.

Molecular Properties

Compound Name1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole
PubChem CID117125009
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole
SMILESFC(F)(F)c1ccccc1Oc1cnn(CC2CCCN2)c1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)13-5-1-2-6-14(13)22-12-8-20-21(10-12)9-11-4-3-7-19-11/h1-2,5-6,8,10-11,19H,3-4,7,9H2
InChIKeyFDTWLPYUGOSGOP-UHFFFAOYSA-N
XLogP3.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]acetic acid
CID 117125430
2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine
CID 117125038
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 23339323
2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine
CID 23339104
4-cyclopropyl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84733041
5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 117232233
4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole
CID 117125139
(2R)-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrrolidine
CID 102820256
1-(pyrrolidin-3-ylmethyl)-4-[4-(trifluoromethyl)phenoxy]pyrazole
CID 117125078
4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine
CID 115055512
2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 121214008
4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine
CID 68829498

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole?
The IUPAC name of 1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole (CID 117125009) is 1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole.
What is the SMILES notation for 1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole?
The canonical SMILES for 1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole is FC(F)(F)c1ccccc1Oc1cnn(CC2CCCN2)c1.
What is the InChIKey of 1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole?
The InChIKey is FDTWLPYUGOSGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c16-15(17,18)13-5-1-2-6-14(13)22-12-8-20-21(10-12)9-11-4-3-7-19-11/h1-2,5-6,8,10-11,19H,3-4,7,9H2.
What are the key properties of 1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole?
1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole has a molecular weight of 311.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole is sourced from PubChem (CID 117125009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).