[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone

C23H24FN3O2 — CID 2810787

IUPAC[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C)CC1
InChIInChI=1S/C23H24FN3O2/c1-16-21(15-25-27(16)19-9-7-18(24)8-10-19)23(28)26-13-11-17(12-14-26)20-5-3-4-6-22(20)29-2/h3-10,15,17H,11-14H2,1-2H3
InChIKeyCOSVFVLPOLSTHB-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.35
Rot. Bonds4

About [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone

[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone (PubChem CID 2810787) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
PubChem CID2810787
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C)CC1
InChIInChI=1S/C23H24FN3O2/c1-16-21(15-25-27(16)19-9-7-18(24)8-10-19)23(28)26-13-11-17(12-14-26)20-5-3-4-6-22(20)29-2/h3-10,15,17H,11-14H2,1-2H3
InChIKeyCOSVFVLPOLSTHB-UHFFFAOYSA-N
XLogP4.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602016
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 119517949
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 86924757
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089042
[4-(2-methoxyphenyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 2728063
1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-propylpiperidine-4-carboxamide
CID 134053554
(3-methoxypyrrolidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 108730568
methyl 5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
CID 155958342
(5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749277
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119032264
2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540357

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone (CID 2810787) is [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone is COc1ccccc1C1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C)CC1.
What is the InChIKey of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone?
The InChIKey is COSVFVLPOLSTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-16-21(15-25-27(16)19-9-7-18(24)8-10-19)23(28)26-13-11-17(12-14-26)20-5-3-4-6-22(20)29-2/h3-10,15,17H,11-14H2,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone?
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone has a molecular weight of 393.46 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 2810787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).