(3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine

C11H11BrClN3 — CID 103135482

IUPAC(3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(C(N)c2cccc(Br)c2Cl)n1
InChIInChI=1S/C11H11BrClN3/c1-16-6-5-9(15-16)11(14)7-3-2-4-8(12)10(7)13/h2-6,11H,14H2,1H3
InChIKeyOVVQSSMNBUPSSX-UHFFFAOYSA-N
MW300.59 g/mol
LogP2.88
Rot. Bonds2

About (3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine

(3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine (PubChem CID 103135482) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
PubChem CID103135482
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC Name(3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(C(N)c2cccc(Br)c2Cl)n1
InChIInChI=1S/C11H11BrClN3/c1-16-6-5-9(15-16)11(14)7-3-2-4-8(12)10(7)13/h2-6,11H,14H2,1H3
InChIKeyOVVQSSMNBUPSSX-UHFFFAOYSA-N
XLogP2.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 106762598
(2-bromo-4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107995871
(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103135283
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621
[(2-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103141046
(1-methylpyrazol-3-yl)-phenylmethanamine
CID 65200403
(3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107977932
[(2-chloro-3-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140793
(3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103131308
(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135151
N-[(3-bromo-2-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106645665
[(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 107103871

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of (3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine (CID 103135482) is (3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine is Cn1ccc(C(N)c2cccc(Br)c2Cl)n1.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is OVVQSSMNBUPSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3/c1-16-6-5-9(15-16)11(14)7-3-2-4-8(12)10(7)13/h2-6,11H,14H2,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine?
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 300.59 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 103135482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).