[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone

C23H24FN3O — CID 56873367

IUPAC[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2cn[nH]c2)c1)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C23H24FN3O/c24-22-10-8-17(9-11-22)6-7-18-3-2-12-27(16-18)23(28)20-5-1-4-19(13-20)21-14-25-26-15-21/h1,4-5,8-11,13-15,18H,2-3,6-7,12,16H2,(H,25,26)
InChIKeyNYGXMGCOZRRDGT-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.70
Rot. Bonds5

About [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone

[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone (PubChem CID 56873367) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone
PubChem CID56873367
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2cn[nH]c2)c1)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C23H24FN3O/c24-22-10-8-17(9-11-22)6-7-18-3-2-12-27(16-18)23(28)20-5-1-4-19(13-20)21-14-25-26-15-21/h1,4-5,8-11,13-15,18H,2-3,6-7,12,16H2,(H,25,26)
InChIKeyNYGXMGCOZRRDGT-UHFFFAOYSA-N
XLogP4.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-aminopropyl)-4-phenyl-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 15982612
6-(2-aminoethyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443518
6-(3-aminopropyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443519
6-(3-aminopropyl)-9-(1H-pyrazol-4-yl)-4-vinylbenzo[h]isoquinolin-1(2H)-one
CID 44443536
6-(3-aminopropyl)-4-(2-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443539
6-(3-aminopropyl)-4-(3-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443542
6-(3-aminopropyl)-4-(4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443544
3-benzyl-8-fluoro-6-(1H-pyrazol-4-yl)quinazolin-4-one
CID 155594053
3-benzyl-7-fluoro-6-(1H-pyrazol-4-yl)quinazolin-4-one
CID 155594106
N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 90385104
(4-fluorophenyl)(4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazino)methanone
CID 2812424
4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-methylphthalazin-1-one
CID 44522118

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone?
The IUPAC name of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone (CID 56873367) is [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone.
What is the SMILES notation for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone?
The canonical SMILES for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone is O=C(c1cccc(-c2cn[nH]c2)c1)N1CCCC(CCc2ccc(F)cc2)C1.
What is the InChIKey of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone?
The InChIKey is NYGXMGCOZRRDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c24-22-10-8-17(9-11-22)6-7-18-3-2-12-27(16-18)23(28)20-5-1-4-19(13-20)21-14-25-26-15-21/h1,4-5,8-11,13-15,18H,2-3,6-7,12,16H2,(H,25,26).
What are the key properties of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone?
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone has a molecular weight of 377.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone is sourced from PubChem (CID 56873367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).