1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole

C12H12Cl2N2 — CID 141189690

IUPAC1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C12H12Cl2N2/c1-8(2)9-6-15-16(7-9)12-10(13)4-3-5-11(12)14/h3-8H,1-2H3
InChIKeyPAOZUUWQECHTTL-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.30
Rot. Bonds2

About 1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole

1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole (PubChem CID 141189690) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole
PubChem CID141189690
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C12H12Cl2N2/c1-8(2)9-6-15-16(7-9)12-10(13)4-3-5-11(12)14/h3-8H,1-2H3
InChIKeyPAOZUUWQECHTTL-UHFFFAOYSA-N
XLogP4.30
TPSA17.82 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 ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole 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

Enpiprazole
CID 208921
1-(3-chlorophenyl)-1H-pyrazole
CID 12238133
1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)diazirin-3-yl]pyrazole
CID 44332033
3-Cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole
CID 3832516
4-Chloro-1-phenylpyrazole
CID 601137
1-(2,4-dichlorophenyl)-1H-pyrazole
CID 12100783
1-(4-chlorophenyl)-1H-pyrazole
CID 12238132
3-Chloro-1-phenyl-1H-pyrazole
CID 601139
4-(chloromethyl)-1-phenyl-1H-pyrazole
CID 2121162
3-chloro-4-(1H-pyrazol-1-yl)aniline
CID 16772207
1-(2-chlorophenyl)-1H-pyrazol-4-amine
CID 43531693
1-(2,4-dichlorophenyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 124297660

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole (CID 141189690) is 1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole is CC(C)c1cnn(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole?
The InChIKey is PAOZUUWQECHTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c1-8(2)9-6-15-16(7-9)12-10(13)4-3-5-11(12)14/h3-8H,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole?
1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole has a molecular weight of 255.15 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole is sourced from PubChem (CID 141189690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).