1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine

C13H15BrClN3 — CID 103859261

IUPAC1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2cc(Cl)ccc2Br)cnn1C
InChIInChI=1S/C13H15BrClN3/c1-9-11(8-17-18(9)2)7-16-6-10-5-12(15)3-4-13(10)14/h3-5,8,16H,6-7H2,1-2H3
InChIKeyCUZQEYLIZGEZHW-UHFFFAOYSA-N
MW328.64 g/mol
LogP3.43
Rot. Bonds4

About 1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine

1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 103859261) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
PubChem CID103859261
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC Name1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2cc(Cl)ccc2Br)cnn1C
InChIInChI=1S/C13H15BrClN3/c1-9-11(8-17-18(9)2)7-16-6-10-5-12(15)3-4-13(10)14/h3-5,8,16H,6-7H2,1-2H3
InChIKeyCUZQEYLIZGEZHW-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 79578574
1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103527576
1-(6-bromo-1,3-benzodioxol-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859290
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79578705
1-(2-bromo-5-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884449
2,6-dibromo-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 106038492
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 113338388
1-(2-bromo-5-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 66159960
N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide
CID 106044881
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103905336
N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66159083
1-(2-bromo-5-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 66158993

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine (CID 103859261) is 1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine is Cc1c(CNCc2cc(Cl)ccc2Br)cnn1C.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is CUZQEYLIZGEZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c1-9-11(8-17-18(9)2)7-16-6-10-5-12(15)3-4-13(10)14/h3-5,8,16H,6-7H2,1-2H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 328.64 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 103859261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).