1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole

C7H6ClF3N2 — CID 116621367

IUPAC1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole
SMILESC=C(Cl)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H6ClF3N2/c1-5(8)4-13-3-2-6(12-13)7(9,10)11/h2-3H,1,4H2
InChIKeyXQJQUANFEWZTAF-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.65
Rot. Bonds2

About 1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole

1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole (PubChem CID 116621367) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole
PubChem CID116621367
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole
SMILESC=C(Cl)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H6ClF3N2/c1-5(8)4-13-3-2-6(12-13)7(9,10)11/h2-3H,1,4H2
InChIKeyXQJQUANFEWZTAF-UHFFFAOYSA-N
XLogP2.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 112560244
N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 113466073
trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide
CID 63702049
propan-2-yl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 60643569
N-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26591497
N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 81341056
N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530808
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19576809
N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530800
1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 43393908
N-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115593407

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole (CID 116621367) is 1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole is C=C(Cl)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is XQJQUANFEWZTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c1-5(8)4-13-3-2-6(12-13)7(9,10)11/h2-3H,1,4H2.
What are the key properties of 1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole?
1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 210.59 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 116621367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).