[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone

C23H23ClFN3O2 — CID 55564176

IUPAC[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCc1ccc(Cn2nc(C)c(C(=O)N3CCOC(c4ccc(F)cc4)C3)c2Cl)cc1
InChIInChI=1S/C23H23ClFN3O2/c1-15-3-5-17(6-4-15)13-28-22(24)21(16(2)26-28)23(29)27-11-12-30-20(14-27)18-7-9-19(25)10-8-18/h3-10,20H,11-14H2,1-2H3
InChIKeyOYKKNFJWQWMTFB-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.55
Rot. Bonds4

About [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone

[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 55564176) has the molecular formula C23H23ClFN3O2 and a molecular weight of 427.91 g/mol. Its IUPAC name is [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID55564176
Molecular FormulaC23H23ClFN3O2
Molecular Weight427.91 g/mol
Exact Mass427.15
IUPAC Name[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCc1ccc(Cn2nc(C)c(C(=O)N3CCOC(c4ccc(F)cc4)C3)c2Cl)cc1
InChIInChI=1S/C23H23ClFN3O2/c1-15-3-5-17(6-4-15)13-28-22(24)21(16(2)26-28)23(29)27-11-12-30-20(14-27)18-7-9-19(25)10-8-18/h3-10,20H,11-14H2,1-2H3
InChIKeyOYKKNFJWQWMTFB-UHFFFAOYSA-N
XLogP4.55
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 95139427
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 95555940
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 78774100
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325
[4-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55976104
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769617
[2-(4-chlorophenyl)morpholin-4-yl]-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]methanone
CID 55948018
5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18292119
1-[2-[4-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55820891
4-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide
CID 41469777
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 134044387

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 55564176) is [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone is Cc1ccc(Cn2nc(C)c(C(=O)N3CCOC(c4ccc(F)cc4)C3)c2Cl)cc1.
What is the InChIKey of [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is OYKKNFJWQWMTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O2/c1-15-3-5-17(6-4-15)13-28-22(24)21(16(2)26-28)23(29)27-11-12-30-20(14-27)18-7-9-19(25)10-8-18/h3-10,20H,11-14H2,1-2H3.
What are the key properties of [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 427.91 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 55564176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).