4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole

C11H7Cl2F3N2 — CID 66438359

IUPAC4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1c(CCl)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H7Cl2F3N2/c12-5-7-6-17-18(10(7)11(14,15)16)9-3-1-8(13)2-4-9/h1-4,6H,5H2
InChIKeyKFXYVWNVEKKKHL-UHFFFAOYSA-N
MW295.09 g/mol
LogP4.28
Rot. Bonds2

About 4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole

4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole (PubChem CID 66438359) has the molecular formula C11H7Cl2F3N2 and a molecular weight of 295.09 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole
PubChem CID66438359
Molecular FormulaC11H7Cl2F3N2
Molecular Weight295.09 g/mol
Exact Mass293.99
IUPAC Name4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1c(CCl)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H7Cl2F3N2/c12-5-7-6-17-18(10(7)11(14,15)16)9-3-1-8(13)2-4-9/h1-4,6H,5H2
InChIKeyKFXYVWNVEKKKHL-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole
CID 66436395
2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
CID 82527513
2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 66436390
[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 66438123
4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81254826
4-(chloromethyl)-1-(2,4-dimethylphenyl)-5-(trifluoromethyl)pyrazole
CID 66437277
2-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]acetic acid
CID 82527752
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122135515
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441057
4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole
CID 153436157
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66442458
(E)-2,3-dichloro-N-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]but-2-enamide
CID 129060915

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole (CID 66438359) is 4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole is FC(F)(F)c1c(CCl)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole?
The InChIKey is KFXYVWNVEKKKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N2/c12-5-7-6-17-18(10(7)11(14,15)16)9-3-1-8(13)2-4-9/h1-4,6H,5H2.
What are the key properties of 4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole?
4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole has a molecular weight of 295.09 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 66438359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).