[2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone

C17H18Cl2FN3O — CID 56966890

IUPAC[2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(F)c1C(=O)N1CCCCC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2FN3O/c1-10-15(16(20)22(2)21-10)17(24)23-8-4-3-5-14(23)12-7-6-11(18)9-13(12)19/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyZIGXJBILMTXWFQ-UHFFFAOYSA-N
MW370.26 g/mol
LogP4.54
Rot. Bonds2

About [2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone

[2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 56966890) has the molecular formula C17H18Cl2FN3O and a molecular weight of 370.26 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone
PubChem CID56966890
Molecular FormulaC17H18Cl2FN3O
Molecular Weight370.26 g/mol
Exact Mass369.08
IUPAC Name[2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(F)c1C(=O)N1CCCCC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2FN3O/c1-10-15(16(20)22(2)21-10)17(24)23-8-4-3-5-14(23)12-7-6-11(18)9-13(12)19/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyZIGXJBILMTXWFQ-UHFFFAOYSA-N
XLogP4.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone
CID 56966810
5-[2-(4-chlorophenyl)azepane-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
CID 154843204
4-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one
CID 84595134
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 95053533
(2-chloro-6-fluorophenyl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56730024
(2-chloro-6-fluorophenyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 46366289
(2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 94080653
[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 99630098
N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 67071534
[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561367
(2-chloro-6-fluorophenyl)-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92877766
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 56816814

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone (CID 56966890) is [2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone is Cc1nn(C)c(F)c1C(=O)N1CCCCC1c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is ZIGXJBILMTXWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN3O/c1-10-15(16(20)22(2)21-10)17(24)23-8-4-3-5-14(23)12-7-6-11(18)9-13(12)19/h6-7,9,14H,3-5,8H2,1-2H3.
What are the key properties of [2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone?
[2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone has a molecular weight of 370.26 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 56966890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).