(4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone

C23H24FN3O2 — CID 2812608

IUPAC(4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone
SMILESCOc1ccc(-c2[nH]ncc2CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H24FN3O2/c1-29-21-8-4-16(5-9-21)22-19(14-25-26-22)15-27-12-10-18(11-13-27)23(28)17-2-6-20(24)7-3-17/h2-9,14,18H,10-13,15H2,1H3,(H,25,26)
InChIKeyAXMITCHOPGIFPP-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.32
Rot. Bonds6

About (4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone (PubChem CID 2812608) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone
PubChem CID2812608
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name(4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone
SMILESCOc1ccc(-c2[nH]ncc2CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H24FN3O2/c1-29-21-8-4-16(5-9-21)22-19(14-25-26-22)15-27-12-10-18(11-13-27)23(28)17-2-6-20(24)7-3-17/h2-9,14,18H,10-13,15H2,1H3,(H,25,26)
InChIKeyAXMITCHOPGIFPP-UHFFFAOYSA-N
XLogP4.32
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 737224
1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
N,N-dimethyl-3-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide
CID 117673407
(4-methoxyphenyl)(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 8031310
(3,4-dimethoxyphenyl){1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanone
CID 16187497
(3-methoxyphenyl)(1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-3-yl)methanone
CID 16189097
4-[(1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)carbonyl]morpholine
CID 16189166
(2,4-dimethoxyphenyl)(1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-3-yl)methanone
CID 16190567
1-[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16190900
{1-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}(2-methoxyphenyl)methanone
CID 16191461
1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-methoxybenzoyl)piperazine
CID 16191501
1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methoxybenzoyl)piperazine
CID 16191587

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone (CID 2812608) is (4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone is COc1ccc(-c2[nH]ncc2CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of (4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone?
The InChIKey is AXMITCHOPGIFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-29-21-8-4-16(5-9-21)22-19(14-25-26-22)15-27-12-10-18(11-13-27)23(28)17-2-6-20(24)7-3-17/h2-9,14,18H,10-13,15H2,1H3,(H,25,26).
What are the key properties of (4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone has a molecular weight of 393.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 2812608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).