3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide

C18H23FN4O2 — CID 53185305

IUPAC3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C18H23FN4O2/c1-25-10-8-20-18(24)23-9-2-3-14(12-23)17-11-16(21-22-17)13-4-6-15(19)7-5-13/h4-7,11,14H,2-3,8-10,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyPMAZGISKHHXGCX-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.75
Rot. Bonds5

About 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide

3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide (PubChem CID 53185305) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
PubChem CID53185305
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C18H23FN4O2/c1-25-10-8-20-18(24)23-9-2-3-14(12-23)17-11-16(21-22-17)13-4-6-15(19)7-5-13/h4-7,11,14H,2-3,8-10,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyPMAZGISKHHXGCX-UHFFFAOYSA-N
XLogP2.75
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide (CID 53185305) is 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide is COCCNC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
The InChIKey is PMAZGISKHHXGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-25-10-8-20-18(24)23-9-2-3-14(12-23)17-11-16(21-22-17)13-4-6-15(19)7-5-13/h4-7,11,14H,2-3,8-10,12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 53185305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).