2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide

C23H25FN4O2 — CID 75528472

IUPAC2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1
InChIInChI=1S/C23H25FN4O2/c1-2-30-21-6-4-3-5-19(21)23(29)25-18-11-13-28(14-12-18)22-15-20(26-27-22)16-7-9-17(24)10-8-16/h3-10,15,18H,2,11-14H2,1H3,(H,25,29)(H,26,27)
InChIKeyXLXBRRXXQDAWOG-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.01
Rot. Bonds6

About 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide

2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide (PubChem CID 75528472) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
PubChem CID75528472
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1
InChIInChI=1S/C23H25FN4O2/c1-2-30-21-6-4-3-5-19(21)23(29)25-18-11-13-28(14-12-18)22-15-20(26-27-22)16-7-9-17(24)10-8-16/h3-10,15,18H,2,11-14H2,1H3,(H,25,29)(H,26,27)
InChIKeyXLXBRRXXQDAWOG-UHFFFAOYSA-N
XLogP4.01
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528231
2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
CID 75528428
2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528307
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide
CID 75528432
2-ethoxy-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99742178
2-(3,4-diethoxyphenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
CID 99741584
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide
CID 136512747
2,4-dimethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528143
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 75528402
4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528414
4-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91887879
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 91904890

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide (CID 75528472) is 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide is CCOc1ccccc1C(=O)NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1.
What is the InChIKey of 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
The InChIKey is XLXBRRXXQDAWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-2-30-21-6-4-3-5-19(21)23(29)25-18-11-13-28(14-12-18)22-15-20(26-27-22)16-7-9-17(24)10-8-16/h3-10,15,18H,2,11-14H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide has a molecular weight of 408.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 75528472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).