1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine

C19H23FN6 — CID 53192109

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
SMILESCCn1cc(CN2CCCC(c3nc(-c4ccc(F)cc4)n[nH]3)C2)cn1
InChIInChI=1S/C19H23FN6/c1-2-26-12-14(10-21-26)11-25-9-3-4-16(13-25)19-22-18(23-24-19)15-5-7-17(20)8-6-15/h5-8,10,12,16H,2-4,9,11,13H2,1H3,(H,22,23,24)
InChIKeyZDPIPIXEOVRXPH-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.21
Rot. Bonds5

About 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine

1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine (PubChem CID 53192109) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
PubChem CID53192109
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
SMILESCCn1cc(CN2CCCC(c3nc(-c4ccc(F)cc4)n[nH]3)C2)cn1
InChIInChI=1S/C19H23FN6/c1-2-26-12-14(10-21-26)11-25-9-3-4-16(13-25)19-22-18(23-24-19)15-5-7-17(20)8-6-15/h5-8,10,12,16H,2-4,9,11,13H2,1H3,(H,22,23,24)
InChIKeyZDPIPIXEOVRXPH-UHFFFAOYSA-N
XLogP3.21
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine (CID 53192109) is 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine is CCn1cc(CN2CCCC(c3nc(-c4ccc(F)cc4)n[nH]3)C2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The InChIKey is ZDPIPIXEOVRXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6/c1-2-26-12-14(10-21-26)11-25-9-3-4-16(13-25)19-22-18(23-24-19)15-5-7-17(20)8-6-15/h5-8,10,12,16H,2-4,9,11,13H2,1H3,(H,22,23,24).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine has a molecular weight of 354.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine is sourced from PubChem (CID 53192109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).