1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine

C22H28F3N3 — CID 155564360

IUPAC1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine
SMILESFC(F)(F)c1ccc(-c2cc(CN3CCCCC3)nn2C2CCCCC2)cc1
InChIInChI=1S/C22H28F3N3/c23-22(24,25)18-11-9-17(10-12-18)21-15-19(16-27-13-5-2-6-14-27)26-28(21)20-7-3-1-4-8-20/h9-12,15,20H,1-8,13-14,16H2
InChIKeyCNKHAJHSFINNDR-UHFFFAOYSA-N
MW391.48 g/mol
LogP6.06
Rot. Bonds4

About 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine

1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine (PubChem CID 155564360) has the molecular formula C22H28F3N3 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine
PubChem CID155564360
Molecular FormulaC22H28F3N3
Molecular Weight391.48 g/mol
Exact Mass391.22
IUPAC Name1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine
SMILESFC(F)(F)c1ccc(-c2cc(CN3CCCCC3)nn2C2CCCCC2)cc1
InChIInChI=1S/C22H28F3N3/c23-22(24,25)18-11-9-17(10-12-18)21-15-19(16-27-13-5-2-6-14-27)26-28(21)20-7-3-1-4-8-20/h9-12,15,20H,1-8,13-14,16H2
InChIKeyCNKHAJHSFINNDR-UHFFFAOYSA-N
XLogP6.06
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.48
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine?
The IUPAC name of 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine (CID 155564360) is 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine?
The canonical SMILES for 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine is FC(F)(F)c1ccc(-c2cc(CN3CCCCC3)nn2C2CCCCC2)cc1.
What is the InChIKey of 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine?
The InChIKey is CNKHAJHSFINNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3/c23-22(24,25)18-11-9-17(10-12-18)21-15-19(16-27-13-5-2-6-14-27)26-28(21)20-7-3-1-4-8-20/h9-12,15,20H,1-8,13-14,16H2.
What are the key properties of 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine?
1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine has a molecular weight of 391.48 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine is sourced from PubChem (CID 155564360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).