1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine

C13H17BrN4 — CID 103011495

IUPAC1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)c1cncc(Br)c1
InChIInChI=1S/C13H17BrN4/c1-15-13(11-5-12(14)8-16-7-11)4-3-10-6-17-18(2)9-10/h5-9,13,15H,3-4H2,1-2H3
InChIKeyWGIDSXXVPFTSHB-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.47
Rot. Bonds5

About 1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103011495) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103011495
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)c1cncc(Br)c1
InChIInChI=1S/C13H17BrN4/c1-15-13(11-5-12(14)8-16-7-11)4-3-10-6-17-18(2)9-10/h5-9,13,15H,3-4H2,1-2H3
InChIKeyWGIDSXXVPFTSHB-UHFFFAOYSA-N
XLogP2.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 107947047
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029803
3-(5-bromo-3-pyridinyl)-N-methyl-1-phenylpropan-1-amine
CID 104799839
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010034
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine
CID 103030144
1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009371
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009971
N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine
CID 103029868
[1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025740

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103011495) is 1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine is CNC(CCc1cnn(C)c1)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is WGIDSXXVPFTSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-15-13(11-5-12(14)8-16-7-11)4-3-10-6-17-18(2)9-10/h5-9,13,15H,3-4H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 309.21 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103011495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).