N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine

C13H20BrN5 — CID 114660168

IUPACN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cncn1C)c1c(Br)cnn1C(C)C
InChIInChI=1S/C13H20BrN5/c1-5-16-12(11-7-15-8-18(11)4)13-10(14)6-17-19(13)9(2)3/h6-9,12,16H,5H2,1-4H3
InChIKeyICRRONDYPCSSLJ-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.66
Rot. Bonds5

About N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine

N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 114660168) has the molecular formula C13H20BrN5 and a molecular weight of 326.24 g/mol. Its IUPAC name is N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
PubChem CID114660168
Molecular FormulaC13H20BrN5
Molecular Weight326.24 g/mol
Exact Mass325.09
IUPAC NameN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cncn1C)c1c(Br)cnn1C(C)C
InChIInChI=1S/C13H20BrN5/c1-5-16-12(11-7-15-8-18(11)4)13-10(14)6-17-19(13)9(2)3/h6-9,12,16H,5H2,1-4H3
InChIKeyICRRONDYPCSSLJ-UHFFFAOYSA-N
XLogP2.66
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine 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

N-[(5-bromo-3-methyltriazol-4-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 106462910
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]ethanamine
CID 114659820
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 114660187
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine
CID 114660611
N-[(3-bromo-5-methylphenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 105042012
N-[(3-bromo-4-methylphenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 105042122
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105183842
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-iodophenyl)methyl]ethanamine
CID 105042306
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114651120
N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 82903321
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105042331
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105336938

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine (CID 114660168) is N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine is CCNC(c1cncn1C)c1c(Br)cnn1C(C)C.
What is the InChIKey of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is ICRRONDYPCSSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN5/c1-5-16-12(11-7-15-8-18(11)4)13-10(14)6-17-19(13)9(2)3/h6-9,12,16H,5H2,1-4H3.
What are the key properties of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine?
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine has a molecular weight of 326.24 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114660168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).