5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole

C12H10ClF3N2 — CID 129168780

IUPAC5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(CCc2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C12H10ClF3N2/c13-11-7-9(12(14,15)16)3-1-8(11)2-4-10-5-6-17-18-10/h1,3,5-7H,2,4H2,(H,17,18)
InChIKeyKKHDRCIDMFEISC-UHFFFAOYSA-N
MW274.67 g/mol
LogP3.87
Rot. Bonds3

About 5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole

5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole (PubChem CID 129168780) has the molecular formula C12H10ClF3N2 and a molecular weight of 274.67 g/mol. Its IUPAC name is 5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole
PubChem CID129168780
Molecular FormulaC12H10ClF3N2
Molecular Weight274.67 g/mol
Exact Mass274.05
IUPAC Name5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(CCc2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C12H10ClF3N2/c13-11-7-9(12(14,15)16)3-1-8(11)2-4-10-5-6-17-18-10/h1,3,5-7H,2,4H2,(H,17,18)
InChIKeyKKHDRCIDMFEISC-UHFFFAOYSA-N
XLogP3.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane
CID 144611727
5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
CID 50942903
5-(3,3,3-trifluoropropyl)-1H-pyrazole
CID 122483416
3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84807242
4-bromo-N,N-bis[[2-chloro-4-(trifluoromethyl)phenyl]methyl]aniline
CID 171614624
2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene
CID 134626202
(2S,4R)-2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-4-(1H-pyrazol-5-yl)butan-1-ol
CID 150530429
5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole
CID 141155968
2-(1H-pyrazol-5-yl)ethanethiol
CID 90977804
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoic acid
CID 2781729
N-[2-(2,4-dichlorophenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63536432

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole?
The IUPAC name of 5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole (CID 129168780) is 5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole.
What is the SMILES notation for 5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole?
The canonical SMILES for 5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole is FC(F)(F)c1ccc(CCc2ccn[nH]2)c(Cl)c1.
What is the InChIKey of 5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole?
The InChIKey is KKHDRCIDMFEISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2/c13-11-7-9(12(14,15)16)3-1-8(11)2-4-10-5-6-17-18-10/h1,3,5-7H,2,4H2,(H,17,18).
What are the key properties of 5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole?
5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole has a molecular weight of 274.67 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole is sourced from PubChem (CID 129168780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).