1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine

C14H17Br2N3 — CID 115857773

IUPAC1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(NC)c1cc(Br)ccc1Br
InChIInChI=1S/C14H17Br2N3/c1-3-8-19-13(6-7-18-19)14(17-2)11-9-10(15)4-5-12(11)16/h4-7,9,14,17H,3,8H2,1-2H3
InChIKeyHXUZALWCVBJUDD-UHFFFAOYSA-N
MW387.12 g/mol
LogP4.13
Rot. Bonds5

About 1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine

1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (PubChem CID 115857773) has the molecular formula C14H17Br2N3 and a molecular weight of 387.12 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
PubChem CID115857773
Molecular FormulaC14H17Br2N3
Molecular Weight387.12 g/mol
Exact Mass384.98
IUPAC Name1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(NC)c1cc(Br)ccc1Br
InChIInChI=1S/C14H17Br2N3/c1-3-8-19-13(6-7-18-19)14(17-2)11-9-10(15)4-5-12(11)16/h4-7,9,14,17H,3,8H2,1-2H3
InChIKeyHXUZALWCVBJUDD-UHFFFAOYSA-N
XLogP4.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.12
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858881
1-(2,5-dibromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038962
N-[(2,5-dibromophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857989
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 114330568
N-[(2-bromo-5-fluorophenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857698
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
[(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105307040
1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 63976399
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 81279266
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038917
1-(4-chloro-2-methoxyphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857351
1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857365

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (CID 115857773) is 1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(NC)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is HXUZALWCVBJUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2N3/c1-3-8-19-13(6-7-18-19)14(17-2)11-9-10(15)4-5-12(11)16/h4-7,9,14,17H,3,8H2,1-2H3.
What are the key properties of 1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 387.12 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115857773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).