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

C12H18F3N3 — CID 95808807

IUPAC(2S)-1-propan-2-yl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESCC(C)N1CCCC[C@H]1c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C12H18F3N3/c1-8(2)18-6-4-3-5-10(18)9-7-11(17-16-9)12(13,14)15/h7-8,10H,3-6H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyWLDSFTQJGQCCKS-JTQLQIEISA-N
MW261.29 g/mol
LogP3.36
Rot. Bonds2

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

(2S)-1-propan-2-yl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 95808807) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is (2S)-1-propan-2-yl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name(2S)-1-propan-2-yl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
PubChem CID95808807
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name(2S)-1-propan-2-yl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESCC(C)N1CCCC[C@H]1c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C12H18F3N3/c1-8(2)18-6-4-3-5-10(18)9-7-11(17-16-9)12(13,14)15/h7-8,10H,3-6H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyWLDSFTQJGQCCKS-JTQLQIEISA-N
XLogP3.36
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-propan-2-yl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of (2S)-1-propan-2-yl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (CID 95808807) is (2S)-1-propan-2-yl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for (2S)-1-propan-2-yl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for (2S)-1-propan-2-yl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is CC(C)N1CCCC[C@H]1c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of (2S)-1-propan-2-yl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is WLDSFTQJGQCCKS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8(2)18-6-4-3-5-10(18)9-7-11(17-16-9)12(13,14)15/h7-8,10H,3-6H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-1-propan-2-yl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
(2S)-1-propan-2-yl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 261.29 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-propan-2-yl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 95808807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).