4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine

C20H25F3N4 — CID 120835059

IUPAC4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine
SMILESFC(F)(F)c1ccc(-c2[nH]ncc2CN2CCC(C3CCCN3)CC2)cc1
InChIInChI=1S/C20H25F3N4/c21-20(22,23)17-5-3-15(4-6-17)19-16(12-25-26-19)13-27-10-7-14(8-11-27)18-2-1-9-24-18/h3-6,12,14,18,24H,1-2,7-11,13H2,(H,25,26)
InChIKeyNBQNSOLODRYQSU-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.06
Rot. Bonds4

About 4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine

4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine (PubChem CID 120835059) has the molecular formula C20H25F3N4 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine
PubChem CID120835059
Molecular FormulaC20H25F3N4
Molecular Weight378.44 g/mol
Exact Mass378.20
IUPAC Name4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine
SMILESFC(F)(F)c1ccc(-c2[nH]ncc2CN2CCC(C3CCCN3)CC2)cc1
InChIInChI=1S/C20H25F3N4/c21-20(22,23)17-5-3-15(4-6-17)19-16(12-25-26-19)13-27-10-7-14(8-11-27)18-2-1-9-24-18/h3-6,12,14,18,24H,1-2,7-11,13H2,(H,25,26)
InChIKeyNBQNSOLODRYQSU-UHFFFAOYSA-N
XLogP4.06
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836831
3,3-dimethyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847184
2-methoxy-2-[1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 166295176
(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119999686
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63259218
N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120839609
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 102877734
[4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfinate
CID 175259408
1-[(2-methylpyrazol-3-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63255576
4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]piperazine-2-carbaldehyde
CID 174585936
5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole
CID 68974333
(2R)-2-methyl-4-[[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 24866963

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine?
The IUPAC name of 4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine (CID 120835059) is 4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine.
What is the SMILES notation for 4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine?
The canonical SMILES for 4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine is FC(F)(F)c1ccc(-c2[nH]ncc2CN2CCC(C3CCCN3)CC2)cc1.
What is the InChIKey of 4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine?
The InChIKey is NBQNSOLODRYQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4/c21-20(22,23)17-5-3-15(4-6-17)19-16(12-25-26-19)13-27-10-7-14(8-11-27)18-2-1-9-24-18/h3-6,12,14,18,24H,1-2,7-11,13H2,(H,25,26).
What are the key properties of 4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine?
4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine has a molecular weight of 378.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-2-yl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidine is sourced from PubChem (CID 120835059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).