(5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole

C10H8Cl4N2 — CID 6933181

IUPAC(5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2=NN[C@@H](C(Cl)(Cl)Cl)C2)cc1
InChIInChI=1S/C10H8Cl4N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-4,9,16H,5H2/t9-/m1/s1
InChIKeyOVIJHSVAAISBQV-SECBINFHSA-N
MW298.00 g/mol
LogP3.78
Rot. Bonds1

About (5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole

(5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole (PubChem CID 6933181) has the molecular formula C10H8Cl4N2 and a molecular weight of 298.00 g/mol. Its IUPAC name is (5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name(5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
PubChem CID6933181
Molecular FormulaC10H8Cl4N2
Molecular Weight298.00 g/mol
Exact Mass295.94
IUPAC Name(5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2=NN[C@@H](C(Cl)(Cl)Cl)C2)cc1
InChIInChI=1S/C10H8Cl4N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-4,9,16H,5H2/t9-/m1/s1
InChIKeyOVIJHSVAAISBQV-SECBINFHSA-N
XLogP3.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.00
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of (5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole (CID 6933181) is (5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for (5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for (5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole is Clc1ccc(C2=NN[C@@H](C(Cl)(Cl)Cl)C2)cc1.
What is the InChIKey of (5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is OVIJHSVAAISBQV-SECBINFHSA-N. The full InChI is InChI=1S/C10H8Cl4N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-4,9,16H,5H2/t9-/m1/s1.
What are the key properties of (5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole?
(5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 298.00 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 6933181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).