[4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine

C11H10BrCl2N3 — CID 84610147

IUPAC[4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine
SMILESCn1nc(CN)c(Br)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10BrCl2N3/c1-17-11(10(12)9(5-15)16-17)7-3-2-6(13)4-8(7)14/h2-4H,5,15H2,1H3
InChIKeyNSERKODNEFYSCU-UHFFFAOYSA-N
MW335.03 g/mol
LogP3.62
Rot. Bonds2

About [4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine

[4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine (PubChem CID 84610147) has the molecular formula C11H10BrCl2N3 and a molecular weight of 335.03 g/mol. Its IUPAC name is [4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine
PubChem CID84610147
Molecular FormulaC11H10BrCl2N3
Molecular Weight335.03 g/mol
Exact Mass332.94
IUPAC Name[4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine
SMILESCn1nc(CN)c(Br)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10BrCl2N3/c1-17-11(10(12)9(5-15)16-17)7-3-2-6(13)4-8(7)14/h2-4H,5,15H2,1H3
InChIKeyNSERKODNEFYSCU-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.03
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 84609485
2-[4-bromo-5-(3-chloro-4-fluorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 84609484
[3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761580
[4-bromo-5-(4-ethylsulfanylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 84607106
1-[4-bromo-5-(3-chloro-4-fluorophenyl)-1-methylpyrazol-3-yl]-N-methylmethanamine
CID 84609488
4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole
CID 91244918
4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine
CID 43336534
4-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]butan-1-amine
CID 68708733
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine
CID 62018478
4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole
CID 22087237
[5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine
CID 59340344

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine?
The IUPAC name of [4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine (CID 84610147) is [4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine is Cn1nc(CN)c(Br)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine?
The InChIKey is NSERKODNEFYSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2N3/c1-17-11(10(12)9(5-15)16-17)7-3-2-6(13)4-8(7)14/h2-4H,5,15H2,1H3.
What are the key properties of [4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine?
[4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine has a molecular weight of 335.03 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 84610147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).