3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole

C12H12Cl2N2 — CID 144911784

IUPAC3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole
SMILESCC(C)C1C=NN=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2/c1-7(2)10-6-15-16-12(10)9-4-3-8(13)5-11(9)14/h3-7,10H,1-2H3
InChIKeyOZIFEOLFKLWWIQ-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.05
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole

3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole (PubChem CID 144911784) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole
PubChem CID144911784
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole
SMILESCC(C)C1C=NN=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2/c1-7(2)10-6-15-16-12(10)9-4-3-8(13)5-11(9)14/h3-7,10H,1-2H3
InChIKeyOZIFEOLFKLWWIQ-UHFFFAOYSA-N
XLogP4.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1E)-2-(2,4-dichlorophenyl)-1-azaprop-1-enyl]aminocarboxamidine
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(1E,2E)-bis(2,4-dichlorobenzylidene)hydrazine
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2-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride
CID 71718947
2-[(2,4-Dichlorophenyl)methylideneamino]guanidine
CID 248400
2-[(Z)-(2,4-dichlorophenyl)methylideneamino]guanidine
CID 5356704
N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine
CID 11447579
(E)-2-(2,4-dichlorophenyl)ethylidenehydrazine
CID 76329673
2-(1-(2,4-Dichlorophenyl)ethylidene)hydrazine-1-carboximidamide
CID 3859359
N-tert-butyl-1-(2,4-dichlorophenyl)methanimine
CID 15254042
(Z)-[(2Z)-1-(4-chlorophenyl)-2-hydrazinylideneethylidene]hydrazine
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(1e,2e)-1,2-Bis(1-(2,4-dichlorophenyl)ethylidene)hydrazine
CID 177796191

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole (CID 144911784) is 3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole is CC(C)C1C=NN=C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole?
The InChIKey is OZIFEOLFKLWWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c1-7(2)10-6-15-16-12(10)9-4-3-8(13)5-11(9)14/h3-7,10H,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole?
3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole has a molecular weight of 255.15 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-propan-2-yl-4H-pyrazole is sourced from PubChem (CID 144911784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).