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

C18H23FN4O2 — CID 53185327

IUPAC4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C18H23FN4O2/c1-25-11-8-20-18(24)23-9-6-14(7-10-23)17-12-16(21-22-17)13-2-4-15(19)5-3-13/h2-5,12,14H,6-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyINWVMNYFYSDZAI-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.75
Rot. Bonds5

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

4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide (PubChem CID 53185327) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
PubChem CID53185327
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C18H23FN4O2/c1-25-11-8-20-18(24)23-9-6-14(7-10-23)17-12-16(21-22-17)13-2-4-15(19)5-3-13/h2-5,12,14H,6-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyINWVMNYFYSDZAI-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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Related Compounds

N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126822230
2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 71819748
[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 71830195
N-(2,4-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839633
N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 71786930
cyclopropyl-[3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 110223798
1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 58097390
N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839622
N-(2-methoxyethyl)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121073628
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126830172

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide (CID 53185327) is 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide is COCCNC(=O)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
The InChIKey is INWVMNYFYSDZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-25-11-8-20-18(24)23-9-6-14(7-10-23)17-12-16(21-22-17)13-2-4-15(19)5-3-13/h2-5,12,14H,6-11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
4-[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 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 53185327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).