1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine

C15H20F3N5 — CID 75499504

IUPAC1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCCn1nccc1CN1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H20F3N5/c1-2-22-13(3-7-19-22)11-21-8-4-12(5-9-21)23-10-6-14(20-23)15(16,17)18/h3,6-7,10,12H,2,4-5,8-9,11H2,1H3
InChIKeyWOXXFVNDWDHKOA-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.96
Rot. Bonds4

About 1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine

1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine (PubChem CID 75499504) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is 1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
PubChem CID75499504
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCCn1nccc1CN1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H20F3N5/c1-2-22-13(3-7-19-22)11-21-8-4-12(5-9-21)23-10-6-14(20-23)15(16,17)18/h3,6-7,10,12H,2,4-5,8-9,11H2,1H3
InChIKeyWOXXFVNDWDHKOA-UHFFFAOYSA-N
XLogP2.96
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The IUPAC name of 1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine (CID 75499504) is 1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The canonical SMILES for 1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine is CCn1nccc1CN1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The InChIKey is WOXXFVNDWDHKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-2-22-13(3-7-19-22)11-21-8-4-12(5-9-21)23-10-6-14(20-23)15(16,17)18/h3,6-7,10,12H,2,4-5,8-9,11H2,1H3.
What are the key properties of 1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine has a molecular weight of 327.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 75499504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).