N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine

C15H21BrN4 — CID 104811698

IUPACN-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nn(Cc2cncc(Br)c2)cc1CNCC(C)C
InChIInChI=1S/C15H21BrN4/c1-11(2)5-17-7-14-10-20(19-12(14)3)9-13-4-15(16)8-18-6-13/h4,6,8,10-11,17H,5,7,9H2,1-3H3
InChIKeyYLOLHBIUVXVCAQ-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.14
Rot. Bonds6

About N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 104811698) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID104811698
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC NameN-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nn(Cc2cncc(Br)c2)cc1CNCC(C)C
InChIInChI=1S/C15H21BrN4/c1-11(2)5-17-7-14-10-20(19-12(14)3)9-13-4-15(16)8-18-6-13/h4,6,8,10-11,17H,5,7,9H2,1-3H3
InChIKeyYLOLHBIUVXVCAQ-UHFFFAOYSA-N
XLogP3.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 104801282
2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126965352
2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 107054670
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 104798210
N-[[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 104813415
4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 104813797
2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide
CID 113454208
N-[[1-[(5-bromo-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 104801141
N-[[5-bromo-2-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62287917
1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 104796853
N-[(5-bromo-3-pyridinyl)methyl]-3-chloro-2-methylpropan-1-amine
CID 104811203
1-[1-[(5-bromo-3-pyridinyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359542

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 104811698) is N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is Cc1nn(Cc2cncc(Br)c2)cc1CNCC(C)C.
What is the InChIKey of N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is YLOLHBIUVXVCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-11(2)5-17-7-14-10-20(19-12(14)3)9-13-4-15(16)8-18-6-13/h4,6,8,10-11,17H,5,7,9H2,1-3H3.
What are the key properties of N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 337.27 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104811698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).