2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine

C11H11Cl2N3 — CID 54594224

IUPAC2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c(N)c1C
InChIInChI=1S/C11H11Cl2N3/c1-6-7(2)15-16(11(6)14)8-3-4-9(12)10(13)5-8/h3-5H,14H2,1-2H3
InChIKeyWGBWFXJNJORWLS-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.38
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine

2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine (PubChem CID 54594224) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine
PubChem CID54594224
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c(N)c1C
InChIInChI=1S/C11H11Cl2N3/c1-6-7(2)15-16(11(6)14)8-3-4-9(12)10(13)5-8/h3-5H,14H2,1-2H3
InChIKeyWGBWFXJNJORWLS-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2769585
N-(3,4-dichlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815052
1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 1810630
1-[5-tert-Butyl-2-(4-chloro-phenyl)-2H-pyrazol-3-yl]-3-(2,3-dichloro-phenyl)-urea
CID 9954785
2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine
CID 2356925
N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine
CID 2400956
5-Amino-1-(4-chlorophenyl)-3-(cyanomethyl)pyrazole-4-carbonitrile
CID 2571179
(4-Chlorophenyl)[(5-imino-3-methyl-1-phenyl(1,2-diazolin-4-ylidene))azamethyl] amine
CID 4152276
N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine
CID 166633436
3-Methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-amine
CID 2060032
3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-amine
CID 2973588

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine?
The IUPAC name of 2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine (CID 54594224) is 2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine is Cc1nn(-c2ccc(Cl)c(Cl)c2)c(N)c1C.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine?
The InChIKey is WGBWFXJNJORWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-6-7(2)15-16(11(6)14)8-3-4-9(12)10(13)5-8/h3-5H,14H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine?
2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine has a molecular weight of 256.14 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 54594224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).