[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C19H14ClF3N2O2 — CID 2745037

IUPAC[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1nn(C(=O)c2ccc(C(F)(F)F)cc2)c(C)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C19H14ClF3N2O2/c1-11-17(27-16-9-7-15(20)8-10-16)12(2)25(24-11)18(26)13-3-5-14(6-4-13)19(21,22)23/h3-10H,1-2H3
InChIKeyUXJHJDZAYUVXJB-UHFFFAOYSA-N
MW394.78 g/mol
LogP5.65
Rot. Bonds3

About [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 2745037) has the molecular formula C19H14ClF3N2O2 and a molecular weight of 394.78 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID2745037
Molecular FormulaC19H14ClF3N2O2
Molecular Weight394.78 g/mol
Exact Mass394.07
IUPAC Name[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1nn(C(=O)c2ccc(C(F)(F)F)cc2)c(C)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C19H14ClF3N2O2/c1-11-17(27-16-9-7-15(20)8-10-16)12(2)25(24-11)18(26)13-3-5-14(6-4-13)19(21,22)23/h3-10H,1-2H3
InChIKeyUXJHJDZAYUVXJB-UHFFFAOYSA-N
XLogP5.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.78
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide
CID 2745789
(4-chlorophenyl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone
CID 723037
(4-chloro-3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone
CID 674648
[3,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazol-1-yl]-(4-methylphenyl)methanone
CID 2745228
[[1-amino-3-[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]propylidene]amino] 4-chlorobenzoate
CID 2746222
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 4288152
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 170440976
[4-(6-chloro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413333
pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 78824899
1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 142414912

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 2745037) is [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone is Cc1nn(C(=O)c2ccc(C(F)(F)F)cc2)c(C)c1Oc1ccc(Cl)cc1.
What is the InChIKey of [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is UXJHJDZAYUVXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2/c1-11-17(27-16-9-7-15(20)8-10-16)12(2)25(24-11)18(26)13-3-5-14(6-4-13)19(21,22)23/h3-10H,1-2H3.
What are the key properties of [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 394.78 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 2745037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).