1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone

C15H13Cl2F3N2O2 — CID 5052328

IUPAC1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1NC(C2CC2)=CC1(O)C(F)(F)F
InChIInChI=1S/C15H13Cl2F3N2O2/c16-10-4-1-8(5-11(10)17)6-13(23)22-14(24,15(18,19)20)7-12(21-22)9-2-3-9/h1,4-5,7,9,21,24H,2-3,6H2
InChIKeyYIGIJMMCVJSBKB-UHFFFAOYSA-N
MW381.18 g/mol
LogP3.43
Rot. Bonds3

About 1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone

1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone (PubChem CID 5052328) has the molecular formula C15H13Cl2F3N2O2 and a molecular weight of 381.18 g/mol. Its IUPAC name is 1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone
PubChem CID5052328
Molecular FormulaC15H13Cl2F3N2O2
Molecular Weight381.18 g/mol
Exact Mass380.03
IUPAC Name1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1NC(C2CC2)=CC1(O)C(F)(F)F
InChIInChI=1S/C15H13Cl2F3N2O2/c16-10-4-1-8(5-11(10)17)6-13(23)22-14(24,15(18,19)20)7-12(21-22)9-2-3-9/h1,4-5,7,9,21,24H,2-3,6H2
InChIKeyYIGIJMMCVJSBKB-UHFFFAOYSA-N
XLogP3.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.18
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone
CID 3689721
[5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-cyclopropylmethanone
CID 4256880
1-[3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone
CID 4748136
2-(3,4-Dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone
CID 4748137
1-[3-Cyclopropylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 5052327
3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133092819

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone (CID 5052328) is 1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone is O=C(Cc1ccc(Cl)c(Cl)c1)N1NC(C2CC2)=CC1(O)C(F)(F)F.
What is the InChIKey of 1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone?
The InChIKey is YIGIJMMCVJSBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F3N2O2/c16-10-4-1-8(5-11(10)17)6-13(23)22-14(24,15(18,19)20)7-12(21-22)9-2-3-9/h1,4-5,7,9,21,24H,2-3,6H2.
What are the key properties of 1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone?
1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone has a molecular weight of 381.18 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 5052328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).