3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine

C21H21F3N4 — CID 45180592

IUPAC3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cccc(-c2cn[nH]c2C2CCCN(Cc3cccnc3)C2)c1
InChIInChI=1S/C21H21F3N4/c22-21(23,24)18-7-1-5-16(10-18)19-12-26-27-20(19)17-6-3-9-28(14-17)13-15-4-2-8-25-11-15/h1-2,4-5,7-8,10-12,17H,3,6,9,13-14H2,(H,26,27)
InChIKeyDDFPPVUNLJWCSO-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.87
Rot. Bonds4

About 3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine

3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine (PubChem CID 45180592) has the molecular formula C21H21F3N4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
PubChem CID45180592
Molecular FormulaC21H21F3N4
Molecular Weight386.42 g/mol
Exact Mass386.17
IUPAC Name3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cccc(-c2cn[nH]c2C2CCCN(Cc3cccnc3)C2)c1
InChIInChI=1S/C21H21F3N4/c22-21(23,24)18-7-1-5-16(10-18)19-12-26-27-20(19)17-6-3-9-28(14-17)13-15-4-2-8-25-11-15/h1-2,4-5,7-8,10-12,17H,3,6,9,13-14H2,(H,26,27)
InChIKeyDDFPPVUNLJWCSO-UHFFFAOYSA-N
XLogP4.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(5-methylfuran-2-yl)methyl]-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 42431199
2-[2-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine
CID 45167297
(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 42482466
3-[[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 56869553
(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methoxyphenyl)methyl]piperidine
CID 42479446
(3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42276653
1-[(4-ethoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45167805
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 28730565
(3S)-1-(2,2-dimethylpropyl)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26346642
2-methyl-4-[4-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol
CID 42483502
(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methylphenyl)methyl]piperidine
CID 42479334
3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 45248311

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine (CID 45180592) is 3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine is FC(F)(F)c1cccc(-c2cn[nH]c2C2CCCN(Cc3cccnc3)C2)c1.
What is the InChIKey of 3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?
The InChIKey is DDFPPVUNLJWCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4/c22-21(23,24)18-7-1-5-16(10-18)19-12-26-27-20(19)17-6-3-9-28(14-17)13-15-4-2-8-25-11-15/h1-2,4-5,7-8,10-12,17H,3,6,9,13-14H2,(H,26,27).
What are the key properties of 3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?
3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine has a molecular weight of 386.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 45180592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).