2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C18H23FN4O — CID 71819748

IUPAC2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C18H23FN4O/c1-22(2)12-18(24)23-9-7-14(8-10-23)17-11-16(20-21-17)13-3-5-15(19)6-4-13/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,21)
InChIKeyQODXMOBEKFDYQD-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.48
Rot. Bonds4

About 2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 71819748) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID71819748
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C18H23FN4O/c1-22(2)12-18(24)23-9-7-14(8-10-23)17-11-16(20-21-17)13-3-5-15(19)6-4-13/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,21)
InChIKeyQODXMOBEKFDYQD-UHFFFAOYSA-N
XLogP2.48
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 71830195
4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 53185327
N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126830172
2-(dimethylamino)-1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946413
4-(5-cyclopropyl-1H-pyrazol-3-yl)benzoic acid
CID 122430192
(3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine
CID 95107377
1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 58097390
[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 53185294
N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126822230
cyclopropyl-[3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 110223798
2,3,3-trimethyl-1-[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 122153584
[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95107364

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 71819748) is 2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is CN(C)CC(=O)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is QODXMOBEKFDYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-22(2)12-18(24)23-9-7-14(8-10-23)17-11-16(20-21-17)13-3-5-15(19)6-4-13/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 330.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71819748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).