1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

C15H20BrN3 — CID 115807987

IUPAC1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2ccc(C)c(Br)c2)cn1
InChIInChI=1S/C15H20BrN3/c1-4-7-19-10-13(9-18-19)15(17-3)12-6-5-11(2)14(16)8-12/h5-6,8-10,15,17H,4,7H2,1-3H3
InChIKeyGDMKMQSYKISCNB-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.67
Rot. Bonds5

About 1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 115807987) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID115807987
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2ccc(C)c(Br)c2)cn1
InChIInChI=1S/C15H20BrN3/c1-4-7-19-10-13(9-18-19)15(17-3)12-6-5-11(2)14(16)8-12/h5-6,8-10,15,17H,4,7H2,1-3H3
InChIKeyGDMKMQSYKISCNB-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-fluorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115807266
1-(3,5-dibromophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107973896
N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine
CID 62716593
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107503527
N-[(3-bromo-4-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 82788217
N-[(3,4-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807966
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038815
1-(3,5-dichlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808123
N-[(3-chloro-4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115808119
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808196
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 104805056
1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808288

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (CID 115807987) is 1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(NC)c2ccc(C)c(Br)c2)cn1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is GDMKMQSYKISCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-4-7-19-10-13(9-18-19)15(17-3)12-6-5-11(2)14(16)8-12/h5-6,8-10,15,17H,4,7H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 322.25 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115807987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).