[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone

C19H24FN3O2 — CID 70756992

IUPAC[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCCC1CCCCN1C(=O)c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C19H24FN3O2/c1-25-12-6-8-14-7-4-5-11-23(14)19(24)18-13-17(21-22-18)15-9-2-3-10-16(15)20/h2-3,9-10,13-14H,4-8,11-12H2,1H3,(H,21,22)
InChIKeyYLWDLUGWCDQUMQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.64
Rot. Bonds6

About [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone

[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 70756992) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID70756992
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCCC1CCCCN1C(=O)c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C19H24FN3O2/c1-25-12-6-8-14-7-4-5-11-23(14)19(24)18-13-17(21-22-18)15-9-2-3-10-16(15)20/h2-3,9-10,13-14H,4-8,11-12H2,1H3,(H,21,22)
InChIKeyYLWDLUGWCDQUMQ-UHFFFAOYSA-N
XLogP3.64
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96577939
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 136757581
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74239837
[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 126423940
[2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70741469
[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 95851475
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779716
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 97014540
(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97154872
(3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 72886711
2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97147736

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone (CID 70756992) is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone is COCCCC1CCCCN1C(=O)c1cc(-c2ccccc2F)n[nH]1.
What is the InChIKey of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is YLWDLUGWCDQUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-25-12-6-8-14-7-4-5-11-23(14)19(24)18-13-17(21-22-18)15-9-2-3-10-16(15)20/h2-3,9-10,13-14H,4-8,11-12H2,1H3,(H,21,22).
What are the key properties of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 345.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70756992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).