(2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone

C20H26FN3O2 — CID 53150657

IUPAC(2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C20H26FN3O2/c1-2-24-19(6-10-22-24)20(25)23-11-7-16(8-12-23)9-13-26-15-17-4-3-5-18(21)14-17/h3-6,10,14,16H,2,7-9,11-13,15H2,1H3
InChIKeyUGGACXRFFFVRDD-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.50
Rot. Bonds7

About (2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (PubChem CID 53150657) has the molecular formula C20H26FN3O2 and a molecular weight of 359.44 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
PubChem CID53150657
Molecular FormulaC20H26FN3O2
Molecular Weight359.44 g/mol
Exact Mass359.20
IUPAC Name(2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C20H26FN3O2/c1-2-24-19(6-10-22-24)20(25)23-11-7-16(8-12-23)9-13-26-15-17-4-3-5-18(21)14-17/h3-6,10,14,16H,2,7-9,11-13,15H2,1H3
InChIKeyUGGACXRFFFVRDD-UHFFFAOYSA-N
XLogP3.50
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(cyclopropylmethoxy)ethyl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 71841527
1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone
CID 53150642
(2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone
CID 53150962
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 53037950
(2-ethylpyrazol-3-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166616429
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
(1,5-dimethylpyrazol-4-yl)-[7-[2-[(3-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 146074059
[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 42459967
[7-[2-[(3-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 154582274
(2-ethylpyrazol-3-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97134062
2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151002
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 99961743

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone (CID 53150657) is (2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is CCn1nccc1C(=O)N1CCC(CCOCc2cccc(F)c2)CC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
The InChIKey is UGGACXRFFFVRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-2-24-19(6-10-22-24)20(25)23-11-7-16(8-12-23)9-13-26-15-17-4-3-5-18(21)14-17/h3-6,10,14,16H,2,7-9,11-13,15H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone has a molecular weight of 359.44 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53150657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).