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

C19H23FN6 — CID 53192335

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
SMILESCCn1cc(CN2CCC(c3nc(-c4ccc(F)cc4)n[nH]3)CC2)cn1
InChIInChI=1S/C19H23FN6/c1-2-26-13-14(11-21-26)12-25-9-7-16(8-10-25)19-22-18(23-24-19)15-3-5-17(20)6-4-15/h3-6,11,13,16H,2,7-10,12H2,1H3,(H,22,23,24)
InChIKeyDVFUHVVQPYVGGL-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.21
Rot. Bonds5

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

1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine (PubChem CID 53192335) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
PubChem CID53192335
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
SMILESCCn1cc(CN2CCC(c3nc(-c4ccc(F)cc4)n[nH]3)CC2)cn1
InChIInChI=1S/C19H23FN6/c1-2-26-13-14(11-21-26)12-25-9-7-16(8-10-25)19-22-18(23-24-19)15-3-5-17(20)6-4-15/h3-6,11,13,16H,2,7-10,12H2,1H3,(H,22,23,24)
InChIKeyDVFUHVVQPYVGGL-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine (CID 53192335) is 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine is CCn1cc(CN2CCC(c3nc(-c4ccc(F)cc4)n[nH]3)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The InChIKey is DVFUHVVQPYVGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6/c1-2-26-13-14(11-21-26)12-25-9-7-16(8-10-25)19-22-18(23-24-19)15-3-5-17(20)6-4-15/h3-6,11,13,16H,2,7-10,12H2,1H3,(H,22,23,24).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
1-[(1-ethylpyrazol-4-yl)methyl]-4-[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]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine is sourced from PubChem (CID 53192335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).