1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

C16H22F3N5 — CID 75496981

IUPAC1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCCCn1cc(CN2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cn1
InChIInChI=1S/C16H22F3N5/c1-2-5-24-11-12(8-21-24)10-23-6-3-13(4-7-23)15-20-9-14(22-15)16(17,18)19/h8-9,11,13H,2-7,10H2,1H3,(H,20,22)
InChIKeyJTGFMRROBNJXLJ-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.41
Rot. Bonds5

About 1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (PubChem CID 75496981) has the molecular formula C16H22F3N5 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
PubChem CID75496981
Molecular FormulaC16H22F3N5
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC Name1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCCCn1cc(CN2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cn1
InChIInChI=1S/C16H22F3N5/c1-2-5-24-11-12(8-21-24)10-23-6-3-13(4-7-23)15-20-9-14(22-15)16(17,18)19/h8-9,11,13H,2-7,10H2,1H3,(H,20,22)
InChIKeyJTGFMRROBNJXLJ-UHFFFAOYSA-N
XLogP3.41
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (CID 75496981) is 1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is CCCn1cc(CN2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cn1.
What is the InChIKey of 1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is JTGFMRROBNJXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5/c1-2-5-24-11-12(8-21-24)10-23-6-3-13(4-7-23)15-20-9-14(22-15)16(17,18)19/h8-9,11,13H,2-7,10H2,1H3,(H,20,22).
What are the key properties of 1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 341.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 75496981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).