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

C14H23BrN6 — CID 66194590

IUPACN-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nn(C)c(Cn2cc(CNC(C)(C)C)nn2)c1Br
InChIInChI=1S/C14H23BrN6/c1-6-11-13(15)12(20(5)18-11)9-21-8-10(17-19-21)7-16-14(2,3)4/h8,16H,6-7,9H2,1-5H3
InChIKeyBREZUAPYEJZFAO-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.27
Rot. Bonds5

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

N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66194590) has the molecular formula C14H23BrN6 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66194590
Molecular FormulaC14H23BrN6
Molecular Weight355.28 g/mol
Exact Mass354.12
IUPAC NameN-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nn(C)c(Cn2cc(CNC(C)(C)C)nn2)c1Br
InChIInChI=1S/C14H23BrN6/c1-6-11-13(15)12(20(5)18-11)9-21-8-10(17-19-21)7-16-14(2,3)4/h8,16H,6-7,9H2,1-5H3
InChIKeyBREZUAPYEJZFAO-UHFFFAOYSA-N
XLogP2.27
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]propanoic acid
CID 107460948
methyl 1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazole-4-carboxylate
CID 103107863
N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66194343
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718245
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107465069
N-[[1-[2-[ethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62422705
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193228
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 66206441
1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol
CID 114497656
N-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 83182735

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66194590) is N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is CCc1nn(C)c(Cn2cc(CNC(C)(C)C)nn2)c1Br.
What is the InChIKey of N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BREZUAPYEJZFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN6/c1-6-11-13(15)12(20(5)18-11)9-21-8-10(17-19-21)7-16-14(2,3)4/h8,16H,6-7,9H2,1-5H3.
What are the key properties of N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 355.28 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66194590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).