(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine

C11H10Br2ClN3 — CID 107946860

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine
SMILESCn1ncc(Cl)c1C(N)c1ccc(Br)cc1Br
InChIInChI=1S/C11H10Br2ClN3/c1-17-11(9(14)5-16-17)10(15)7-3-2-6(12)4-8(7)13/h2-5,10H,15H2,1H3
InChIKeyYIWKPOQFRVSAEL-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.65
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine

(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine (PubChem CID 107946860) has the molecular formula C11H10Br2ClN3 and a molecular weight of 379.48 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine
PubChem CID107946860
Molecular FormulaC11H10Br2ClN3
Molecular Weight379.48 g/mol
Exact Mass376.89
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine
SMILESCn1ncc(Cl)c1C(N)c1ccc(Br)cc1Br
InChIInChI=1S/C11H10Br2ClN3/c1-17-11(9(14)5-16-17)10(15)7-3-2-6(12)4-8(7)13/h2-5,10H,15H2,1H3
InChIKeyYIWKPOQFRVSAEL-UHFFFAOYSA-N
XLogP3.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114025423
(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046840
(3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114646653
(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114651067
(4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046832
(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054403
(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 107945853
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 105046611
(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine
CID 114030271
(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 115836734
2-(3-bromophenyl)sulfanyl-1-(4-chloro-1-methylpyrazol-5-yl)ethanamine
CID 114656341
(4-chloro-1-methylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658334

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine (CID 107946860) is (4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine is Cn1ncc(Cl)c1C(N)c1ccc(Br)cc1Br.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine?
The InChIKey is YIWKPOQFRVSAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2ClN3/c1-17-11(9(14)5-16-17)10(15)7-3-2-6(12)4-8(7)13/h2-5,10H,15H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine?
(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine has a molecular weight of 379.48 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine is sourced from PubChem (CID 107946860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).