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

C13H15F3N4 — CID 174877201

IUPAC2-pyrrol-1-yl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine
SMILESFC(F)(F)c1cc(N2CCCCC2n2cccc2)n[nH]1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)10-9-11(18-17-10)20-8-2-1-5-12(20)19-6-3-4-7-19/h3-4,6-7,9,12H,1-2,5,8H2,(H,17,18)
InChIKeyOYWKSMSEMSXZPI-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.42
Rot. Bonds2

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

2-pyrrol-1-yl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine (PubChem CID 174877201) has the molecular formula C13H15F3N4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-pyrrol-1-yl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine.

Molecular Properties

Compound Name2-pyrrol-1-yl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine
PubChem CID174877201
Molecular FormulaC13H15F3N4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name2-pyrrol-1-yl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine
SMILESFC(F)(F)c1cc(N2CCCCC2n2cccc2)n[nH]1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)10-9-11(18-17-10)20-8-2-1-5-12(20)19-6-3-4-7-19/h3-4,6-7,9,12H,1-2,5,8H2,(H,17,18)
InChIKeyOYWKSMSEMSXZPI-UHFFFAOYSA-N
XLogP3.42
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134588676
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CID 153914602
CID 153914602
CID 154753623
CID 154753623
CID 53215353
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CID 68886954
CID 68886954
CID 149870314
CID 149870314
CID 173089526
CID 173089526
CID 173112036
CID 173112036

Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine?
The IUPAC name of 2-pyrrol-1-yl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine (CID 174877201) is 2-pyrrol-1-yl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine.
What is the SMILES notation for 2-pyrrol-1-yl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine?
The canonical SMILES for 2-pyrrol-1-yl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine is FC(F)(F)c1cc(N2CCCCC2n2cccc2)n[nH]1.
What is the InChIKey of 2-pyrrol-1-yl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine?
The InChIKey is OYWKSMSEMSXZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c14-13(15,16)10-9-11(18-17-10)20-8-2-1-5-12(20)19-6-3-4-7-19/h3-4,6-7,9,12H,1-2,5,8H2,(H,17,18).
What are the key properties of 2-pyrrol-1-yl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine?
2-pyrrol-1-yl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine has a molecular weight of 284.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine is sourced from PubChem (CID 174877201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).