1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine

C17H19FN6 — CID 176618516

IUPAC1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine
SMILESFc1cc(-c2cn[nH]c2)ccc1N1CCC(Cn2cnnc2)CC1
InChIInChI=1S/C17H19FN6/c18-16-7-14(15-8-19-20-9-15)1-2-17(16)24-5-3-13(4-6-24)10-23-11-21-22-12-23/h1-2,7-9,11-13H,3-6,10H2,(H,19,20)
InChIKeyKLHWGBHLBLZUOF-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.72
Rot. Bonds4

About 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine

1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine (PubChem CID 176618516) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine
PubChem CID176618516
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine
SMILESFc1cc(-c2cn[nH]c2)ccc1N1CCC(Cn2cnnc2)CC1
InChIInChI=1S/C17H19FN6/c18-16-7-14(15-8-19-20-9-15)1-2-17(16)24-5-3-13(4-6-24)10-23-11-21-22-12-23/h1-2,7-9,11-13H,3-6,10H2,(H,19,20)
InChIKeyKLHWGBHLBLZUOF-UHFFFAOYSA-N
XLogP2.72
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine
CID 176618459
1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperazine;pyrrolidine-1-carbaldehyde
CID 170170465
1-[[1-[2-(hydroxymethyl)-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 169094886
2-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]-5-(1H-pyrazol-4-yl)benzoic acid
CID 169094887
3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 123580966
(2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone
CID 118674449
[1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol
CID 82250935
1-[(1-tert-butylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole
CID 118683181
1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)benzimidazole
CID 118682973
1-(4-ethoxy-2-fluorophenyl)piperidin-4-amine
CID 65202408
4-(4-fluoro-3-methylphenyl)-1H-pyrazole
CID 118018809
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine?
The IUPAC name of 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine (CID 176618516) is 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine.
What is the SMILES notation for 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine?
The canonical SMILES for 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine is Fc1cc(-c2cn[nH]c2)ccc1N1CCC(Cn2cnnc2)CC1.
What is the InChIKey of 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine?
The InChIKey is KLHWGBHLBLZUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c18-16-7-14(15-8-19-20-9-15)1-2-17(16)24-5-3-13(4-6-24)10-23-11-21-22-12-23/h1-2,7-9,11-13H,3-6,10H2,(H,19,20).
What are the key properties of 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine?
1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine has a molecular weight of 326.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine is sourced from PubChem (CID 176618516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).