(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine

C11H12BrN3 — CID 43124230

IUPAC(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2ccccc2Br)cn1
InChIInChI=1S/C11H12BrN3/c1-15-7-8(6-14-15)11(13)9-4-2-3-5-10(9)12/h2-7,11H,13H2,1H3
InChIKeyJBNSSZDXQBPTAY-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.23
Rot. Bonds2

About (2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine

(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine (PubChem CID 43124230) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is (2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
PubChem CID43124230
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2ccccc2Br)cn1
InChIInChI=1S/C11H12BrN3/c1-15-7-8(6-14-15)11(13)9-4-2-3-5-10(9)12/h2-7,11H,13H2,1H3
InChIKeyJBNSSZDXQBPTAY-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115809289
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497333
(2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115808803
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 114981782
(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374409
(2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 115049664
4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole
CID 79454417
(2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124207
(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124250
N-[(3-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808627
2-(2-bromoanilino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61048451

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine (CID 43124230) is (2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine is Cn1cc(C(N)c2ccccc2Br)cn1.
What is the InChIKey of (2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is JBNSSZDXQBPTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-15-7-8(6-14-15)11(13)9-4-2-3-5-10(9)12/h2-7,11H,13H2,1H3.
What are the key properties of (2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine?
(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 266.14 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43124230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).