N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine

C15H23BrN4 — CID 66402797

IUPACN-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(C)c(Cn2cccc2CNC(C)(C)C)c1Br
InChIInChI=1S/C15H23BrN4/c1-11-14(16)13(19(5)18-11)10-20-8-6-7-12(20)9-17-15(2,3)4/h6-8,17H,9-10H2,1-5H3
InChIKeyXBTRDMPEIDLHRU-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.23
Rot. Bonds4

About N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66402797) has the molecular formula C15H23BrN4 and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID66402797
Molecular FormulaC15H23BrN4
Molecular Weight339.28 g/mol
Exact Mass338.11
IUPAC NameN-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(C)c(Cn2cccc2CNC(C)(C)C)c1Br
InChIInChI=1S/C15H23BrN4/c1-11-14(16)13(19(5)18-11)10-20-8-6-7-12(20)9-17-15(2,3)4/h6-8,17H,9-10H2,1-5H3
InChIKeyXBTRDMPEIDLHRU-UHFFFAOYSA-N
XLogP3.23
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66403138
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrole-2-carbaldehyde
CID 66408998
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrole-2-carbothioamide
CID 114654226
2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66403771
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
CID 116620154
N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402996
2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 112651076
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(tert-butylamino)-2-methylpropan-2-ol
CID 66037988
N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66401466
2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine
CID 66401427
N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66402832
2-methyl-N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402608

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine (CID 66402797) is N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine is Cc1nn(C)c(Cn2cccc2CNC(C)(C)C)c1Br.
What is the InChIKey of N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is XBTRDMPEIDLHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4/c1-11-14(16)13(19(5)18-11)10-20-8-6-7-12(20)9-17-15(2,3)4/h6-8,17H,9-10H2,1-5H3.
What are the key properties of N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 339.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66402797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).