[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone

C21H23FN4O2 — CID 16671548

IUPAC[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)[C@@H](C)CN1Cc1ccco1
InChIInChI=1S/C21H23FN4O2/c1-14-12-26(15(2)11-25(14)13-18-4-3-9-28-18)21(27)20-10-19(23-24-20)16-5-7-17(22)8-6-16/h3-10,14-15H,11-13H2,1-2H3,(H,23,24)/t14-,15-/m0/s1
InChIKeyOHWSKPHQBZTGDS-GJZGRUSLSA-N
MW382.44 g/mol
LogP3.54
Rot. Bonds4

About [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone (PubChem CID 16671548) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone
PubChem CID16671548
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)[C@@H](C)CN1Cc1ccco1
InChIInChI=1S/C21H23FN4O2/c1-14-12-26(15(2)11-25(14)13-18-4-3-9-28-18)21(27)20-10-19(23-24-20)16-5-7-17(22)8-6-16/h3-10,14-15H,11-13H2,1-2H3,(H,23,24)/t14-,15-/m0/s1
InChIKeyOHWSKPHQBZTGDS-GJZGRUSLSA-N
XLogP3.54
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone 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 [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone (CID 16671548) is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone is C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)[C@@H](C)CN1Cc1ccco1.
What is the InChIKey of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone?
The InChIKey is OHWSKPHQBZTGDS-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-14-12-26(15(2)11-25(14)13-18-4-3-9-28-18)21(27)20-10-19(23-24-20)16-5-7-17(22)8-6-16/h3-10,14-15H,11-13H2,1-2H3,(H,23,24)/t14-,15-/m0/s1.
What are the key properties of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone?
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone has a molecular weight of 382.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S,5S)-4-(furan-2-ylmethyl)-2,5-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 16671548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).