(2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine

C11H10BrCl2N3 — CID 114025423

IUPAC(2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H10BrCl2N3/c1-17-11(9(14)5-16-17)10(15)7-3-2-6(13)4-8(7)12/h2-5,10H,15H2,1H3
InChIKeyWKVKEDFPUJVPSA-UHFFFAOYSA-N
MW335.03 g/mol
LogP3.54
Rot. Bonds2

About (2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine

(2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine (PubChem CID 114025423) has the molecular formula C11H10BrCl2N3 and a molecular weight of 335.03 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
PubChem CID114025423
Molecular FormulaC11H10BrCl2N3
Molecular Weight335.03 g/mol
Exact Mass332.94
IUPAC Name(2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H10BrCl2N3/c1-17-11(9(14)5-16-17)10(15)7-3-2-6(13)4-8(7)12/h2-5,10H,15H2,1H3
InChIKeyWKVKEDFPUJVPSA-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine
CID 107946860
(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114651067
(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046840
(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine
CID 114030271
(4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046832
[(4-bromo-1-methylpyrazol-5-yl)-(2,4-dichlorophenyl)methyl]hydrazine
CID 105342098
(4-chloro-1-methylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658334
(3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114646653
(2-bromo-4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107995871
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 105046611
(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 115836734
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114637368

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine (CID 114025423) is (2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine is Cn1ncc(Cl)c1C(N)c1ccc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The InChIKey is WKVKEDFPUJVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2N3/c1-17-11(9(14)5-16-17)10(15)7-3-2-6(13)4-8(7)12/h2-5,10H,15H2,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
(2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine has a molecular weight of 335.03 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114025423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).