2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine

C16H22F3N5 — CID 56780377

IUPAC2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
SMILESCc1cnn(CC2CCCCN2Cc2nccn2CC(F)(F)F)c1
InChIInChI=1S/C16H22F3N5/c1-13-8-21-24(9-13)10-14-4-2-3-6-22(14)11-15-20-5-7-23(15)12-16(17,18)19/h5,7-9,14H,2-4,6,10-12H2,1H3
InChIKeyBPRYRKUPWQETBG-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.01
Rot. Bonds5

About 2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine

2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine (PubChem CID 56780377) has the molecular formula C16H22F3N5 and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
PubChem CID56780377
Molecular FormulaC16H22F3N5
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC Name2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
SMILESCc1cnn(CC2CCCCN2Cc2nccn2CC(F)(F)F)c1
InChIInChI=1S/C16H22F3N5/c1-13-8-21-24(9-13)10-14-4-2-3-6-22(14)11-15-20-5-7-23(15)12-16(17,18)19/h5,7-9,14H,2-4,6,10-12H2,1H3
InChIKeyBPRYRKUPWQETBG-UHFFFAOYSA-N
XLogP3.01
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
The IUPAC name of 2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine (CID 56780377) is 2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
The canonical SMILES for 2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine is Cc1cnn(CC2CCCCN2Cc2nccn2CC(F)(F)F)c1.
What is the InChIKey of 2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
The InChIKey is BPRYRKUPWQETBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5/c1-13-8-21-24(9-13)10-14-4-2-3-6-22(14)11-15-20-5-7-23(15)12-16(17,18)19/h5,7-9,14H,2-4,6,10-12H2,1H3.
What are the key properties of 2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine has a molecular weight of 341.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 56780377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).