(3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine

C16H22F3N5 — CID 97019118

IUPAC(3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESCC(C)n1ccc(CN2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)n1
InChIInChI=1S/C16H22F3N5/c1-11(2)24-7-5-13(22-24)10-23-6-3-4-12(9-23)14-8-15(21-20-14)16(17,18)19/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyBISQWHVLJSTLNE-LBPRGKRZSA-N
MW341.38 g/mol
LogP3.59
Rot. Bonds4

About (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine

(3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 97019118) has the molecular formula C16H22F3N5 and a molecular weight of 341.38 g/mol. Its IUPAC name is (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name(3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
PubChem CID97019118
Molecular FormulaC16H22F3N5
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC Name(3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESCC(C)n1ccc(CN2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)n1
InChIInChI=1S/C16H22F3N5/c1-11(2)24-7-5-13(22-24)10-23-6-3-4-12(9-23)14-8-15(21-20-14)16(17,18)19/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyBISQWHVLJSTLNE-LBPRGKRZSA-N
XLogP3.59
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (CID 97019118) is (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is CC(C)n1ccc(CN2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)n1.
What is the InChIKey of (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is BISQWHVLJSTLNE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22F3N5/c1-11(2)24-7-5-13(22-24)10-23-6-3-4-12(9-23)14-8-15(21-20-14)16(17,18)19/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
(3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 341.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 97019118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).