[4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone

C23H23F2N3O2 — CID 112843442

IUPAC[4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C23H23F2N3O2/c1-15-22(16(2)28(26-15)18-6-4-3-5-7-18)23(29)27-12-10-19(11-13-27)30-21-9-8-17(24)14-20(21)25/h3-9,14,19H,10-13H2,1-2H3
InChIKeyDBKAXMFBYNSFDS-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.45
Rot. Bonds4

About [4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone

[4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 112843442) has the molecular formula C23H23F2N3O2 and a molecular weight of 411.45 g/mol. Its IUPAC name is [4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
PubChem CID112843442
Molecular FormulaC23H23F2N3O2
Molecular Weight411.45 g/mol
Exact Mass411.18
IUPAC Name[4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C23H23F2N3O2/c1-15-22(16(2)28(26-15)18-6-4-3-5-7-18)23(29)27-12-10-19(11-13-27)30-21-9-8-17(24)14-20(21)25/h3-9,14,19H,10-13H2,1-2H3
InChIKeyDBKAXMFBYNSFDS-UHFFFAOYSA-N
XLogP4.45
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559904
(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836700
azepan-1-yl-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 9036569
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542802
5-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 112836577
(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 119944781
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694964
[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 112843502
(2-anilinophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843416
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402164
cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55639056
[1-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 55811317

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone (CID 112843442) is [4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone is Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of [4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is DBKAXMFBYNSFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O2/c1-15-22(16(2)28(26-15)18-6-4-3-5-7-18)23(29)27-12-10-19(11-13-27)30-21-9-8-17(24)14-20(21)25/h3-9,14,19H,10-13H2,1-2H3.
What are the key properties of [4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone?
[4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 411.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 112843442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).