4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole

C11H9Cl3N2 — CID 142636907

IUPAC4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole
SMILESCC(Cl)(Cl)c1[nH]ncc1-c1ccccc1Cl
InChIInChI=1S/C11H9Cl3N2/c1-11(13,14)10-8(6-15-16-10)7-4-2-3-5-9(7)12/h2-6H,1H3,(H,15,16)
InChIKeyZINHIWYWVDNPFL-UHFFFAOYSA-N
MW275.57 g/mol
LogP4.38
Rot. Bonds2

About 4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole

4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole (PubChem CID 142636907) has the molecular formula C11H9Cl3N2 and a molecular weight of 275.57 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole
PubChem CID142636907
Molecular FormulaC11H9Cl3N2
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole
SMILESCC(Cl)(Cl)c1[nH]ncc1-c1ccccc1Cl
InChIInChI=1S/C11H9Cl3N2/c1-11(13,14)10-8(6-15-16-10)7-4-2-3-5-9(7)12/h2-6H,1H3,(H,15,16)
InChIKeyZINHIWYWVDNPFL-UHFFFAOYSA-N
XLogP4.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 135084268
4-chloro-5-(2-chlorophenyl)-1H-pyrazole
CID 22916491
4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
CID 115046230
4-(2-chlorophenyl)-1H-indazol-6-amine
CID 141163572
N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119630152
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135713335
N-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine
CID 136543918
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
CID 135765783
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol
CID 111448944
5-(2-chlorophenyl)-6-methyl-1H-pyrimidin-2-one
CID 142606742
4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
CID 82803223
5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 117260757

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole?
The IUPAC name of 4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole (CID 142636907) is 4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole.
What is the SMILES notation for 4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole?
The canonical SMILES for 4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole is CC(Cl)(Cl)c1[nH]ncc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole?
The InChIKey is ZINHIWYWVDNPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2/c1-11(13,14)10-8(6-15-16-10)7-4-2-3-5-9(7)12/h2-6H,1H3,(H,15,16).
What are the key properties of 4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole?
4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole has a molecular weight of 275.57 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole is sourced from PubChem (CID 142636907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).