1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C7H8ClF3N2O — CID 112560244

IUPAC1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESOC(CCl)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H8ClF3N2O/c8-3-5(14)4-13-2-1-6(12-13)7(9,10)11/h1-2,5,14H,3-4H2
InChIKeyGUQFPOJUCPZHES-UHFFFAOYSA-N
MW228.60 g/mol
LogP1.50
Rot. Bonds3

About 1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 112560244) has the molecular formula C7H8ClF3N2O and a molecular weight of 228.60 g/mol. Its IUPAC name is 1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID112560244
Molecular FormulaC7H8ClF3N2O
Molecular Weight228.60 g/mol
Exact Mass228.03
IUPAC Name1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESOC(CCl)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H8ClF3N2O/c8-3-5(14)4-13-2-1-6(12-13)7(9,10)11/h1-2,5,14H,3-4H2
InChIKeyGUQFPOJUCPZHES-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.60
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809229
1-[(4-chlorophenyl)methoxy]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 109411681
1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989367
1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 109411689
1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989366
1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole
CID 116621367
1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 109411694
N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 162611382
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 97243184
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol
CID 106802540
(2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 7189037
bis[(2S)-3,3-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] carbonate
CID 87869267

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 112560244) is 1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is OC(CCl)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is GUQFPOJUCPZHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2O/c8-3-5(14)4-13-2-1-6(12-13)7(9,10)11/h1-2,5,14H,3-4H2.
What are the key properties of 1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 228.60 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 112560244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).