4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline

C12H13Cl2N3 — CID 112740943

IUPAC4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline
SMILESCc1nn(-c2c(N)ccc(Cl)c2C)c(C)c1Cl
InChIInChI=1S/C12H13Cl2N3/c1-6-9(13)4-5-10(15)12(6)17-8(3)11(14)7(2)16-17/h4-5H,15H2,1-3H3
InChIKeyAIUCVFZVPSXMIG-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.69
Rot. Bonds1

About 4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline

4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline (PubChem CID 112740943) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline
PubChem CID112740943
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline
SMILESCc1nn(-c2c(N)ccc(Cl)c2C)c(C)c1Cl
InChIInChI=1S/C12H13Cl2N3/c1-6-9(13)4-5-10(15)12(6)17-8(3)11(14)7(2)16-17/h4-5H,15H2,1-3H3
InChIKeyAIUCVFZVPSXMIG-UHFFFAOYSA-N
XLogP3.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2,3-diamine
CID 79825439
3-amino-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoic acid
CID 112579483
2-chloro-4-(3,4,5-trimethylpyrazol-1-yl)aniline
CID 82513276
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 62128808
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylpyridin-3-amine
CID 62476725
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methanamine
CID 19627381
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine
CID 79176068
4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole
CID 82088582
2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine
CID 79631899
2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
CID 79466814
(1S)-1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 114058848
5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine
CID 62129326

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline?
The IUPAC name of 4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline (CID 112740943) is 4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline.
What is the SMILES notation for 4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline?
The canonical SMILES for 4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline is Cc1nn(-c2c(N)ccc(Cl)c2C)c(C)c1Cl.
What is the InChIKey of 4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline?
The InChIKey is AIUCVFZVPSXMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-6-9(13)4-5-10(15)12(6)17-8(3)11(14)7(2)16-17/h4-5H,15H2,1-3H3.
What are the key properties of 4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline?
4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline has a molecular weight of 270.16 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline is sourced from PubChem (CID 112740943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).