(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine

C15H16F3N3 — CID 95839881

IUPAC(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
SMILESFC(F)(F)c1ccc(-c2cn[nH]c2[C@H]2CCCNC2)cc1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)12-5-3-10(4-6-12)13-9-20-21-14(13)11-2-1-7-19-8-11/h3-6,9,11,19H,1-2,7-8H2,(H,20,21)/t11-/m0/s1
InChIKeyJVMCJODKCQOQOG-NSHDSACASA-N
MW295.31 g/mol
LogP3.56
Rot. Bonds2

About (3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine

(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine (PubChem CID 95839881) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is (3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
PubChem CID95839881
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
SMILESFC(F)(F)c1ccc(-c2cn[nH]c2[C@H]2CCCNC2)cc1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)12-5-3-10(4-6-12)13-9-20-21-14(13)11-2-1-7-19-8-11/h3-6,9,11,19H,1-2,7-8H2,(H,20,21)/t11-/m0/s1
InChIKeyJVMCJODKCQOQOG-NSHDSACASA-N
XLogP3.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 82380463
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 125171992
(3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 124858934
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 121379891
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
(3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 96623523
5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride
CID 126780501
3-[3,5-bis(trifluoromethyl)phenyl]piperidine
CID 45073834
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 175661292

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine?
The IUPAC name of (3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine (CID 95839881) is (3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for (3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for (3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine is FC(F)(F)c1ccc(-c2cn[nH]c2[C@H]2CCCNC2)cc1.
What is the InChIKey of (3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine?
The InChIKey is JVMCJODKCQOQOG-NSHDSACASA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)12-5-3-10(4-6-12)13-9-20-21-14(13)11-2-1-7-19-8-11/h3-6,9,11,19H,1-2,7-8H2,(H,20,21)/t11-/m0/s1.
What are the key properties of (3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine?
(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine has a molecular weight of 295.31 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 95839881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).