3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline

C10H9Cl2N3 — CID 106890907

IUPAC3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline
SMILESCc1cnn(-c2c(Cl)cc(N)cc2Cl)c1
InChIInChI=1S/C10H9Cl2N3/c1-6-4-14-15(5-6)10-8(11)2-7(13)3-9(10)12/h2-5H,13H2,1H3
InChIKeyFENJBAFIEGNOOE-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.07
Rot. Bonds1

About 3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline

3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline (PubChem CID 106890907) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline
PubChem CID106890907
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline
SMILESCc1cnn(-c2c(Cl)cc(N)cc2Cl)c1
InChIInChI=1S/C10H9Cl2N3/c1-6-4-14-15(5-6)10-8(11)2-7(13)3-9(10)12/h2-5H,13H2,1H3
InChIKeyFENJBAFIEGNOOE-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.07
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

3,5-dichloro-4-(4-propan-2-yloxypyrazol-1-yl)aniline
CID 114273683
3-fluoro-5-(4-methylpyrazol-1-yl)aniline
CID 80751942
1-(4-chloro-3-fluorophenyl)-4-methylpyrazole
CID 79149054
5-chloro-2-(4-methylpyrazol-1-yl)aniline
CID 19624514
3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline
CID 106890917
5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid
CID 107197071
ethyl 5-amino-2-(4-bromopyrazol-1-yl)-3-chlorobenzoate
CID 107197073
ethyl 5-amino-2-(4-carbamoylpyrazol-1-yl)-3-chlorobenzoate
CID 107197136
methyl 5-amino-3-chloro-2-(4-iodopyrazol-1-yl)benzoate
CID 107197122
3-chloro-4-(4-methylpyrazol-1-yl)phenol
CID 70819185
1-(4-bromo-2-chlorophenyl)-4-methylpyrazole
CID 84713061
1-[3-chloro-2-(4-methylpyrazol-1-yl)phenyl]propan-2-amine
CID 114070167

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline?
The IUPAC name of 3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline (CID 106890907) is 3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline.
What is the SMILES notation for 3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline?
The canonical SMILES for 3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline is Cc1cnn(-c2c(Cl)cc(N)cc2Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline?
The InChIKey is FENJBAFIEGNOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c1-6-4-14-15(5-6)10-8(11)2-7(13)3-9(10)12/h2-5H,13H2,1H3.
What are the key properties of 3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline?
3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline has a molecular weight of 242.11 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline is sourced from PubChem (CID 106890907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).