1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine

C15H23BrN4 — CID 79109540

IUPAC1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(Cc2c(Br)c(CC)nn2C)c1
InChIInChI=1S/C15H23BrN4/c1-4-6-12(17)11-7-8-20(9-11)10-14-15(16)13(5-2)18-19(14)3/h7-9,12H,4-6,10,17H2,1-3H3
InChIKeyNCLOPTSXOCBJRI-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.39
Rot. Bonds6

About 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine

1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine (PubChem CID 79109540) has the molecular formula C15H23BrN4 and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
PubChem CID79109540
Molecular FormulaC15H23BrN4
Molecular Weight339.28 g/mol
Exact Mass338.11
IUPAC Name1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(Cc2c(Br)c(CC)nn2C)c1
InChIInChI=1S/C15H23BrN4/c1-4-6-12(17)11-7-8-20(9-11)10-14-15(16)13(5-2)18-19(14)3/h7-9,12H,4-6,10,17H2,1-3H3
InChIKeyNCLOPTSXOCBJRI-UHFFFAOYSA-N
XLogP3.39
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097692
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66406497
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-one
CID 79098629
1-[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine
CID 104801337
1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine
CID 79107801
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79107942
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105390
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108923
1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 114930925
3-amino-1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)hexan-2-one
CID 116554748
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]butan-1-amine
CID 79108390
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109512

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine?
The IUPAC name of 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine (CID 79109540) is 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine?
The canonical SMILES for 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine is CCCC(N)c1ccn(Cc2c(Br)c(CC)nn2C)c1.
What is the InChIKey of 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine?
The InChIKey is NCLOPTSXOCBJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4/c1-4-6-12(17)11-7-8-20(9-11)10-14-15(16)13(5-2)18-19(14)3/h7-9,12H,4-6,10,17H2,1-3H3.
What are the key properties of 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine?
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine has a molecular weight of 339.28 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79109540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).