N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine

C13H20BrN5 — CID 114658484

IUPACN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncc[nH]1)c1c(Br)cnn1C(C)C
InChIInChI=1S/C13H20BrN5/c1-4-5-15-11(13-16-6-7-17-13)12-10(14)8-18-19(12)9(2)3/h6-9,11,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyNEBYTGUJXFIDMV-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.04
Rot. Bonds6

About N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine

N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine (PubChem CID 114658484) 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)-(1H-imidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine
PubChem CID114658484
Molecular FormulaC13H20BrN5
Molecular Weight326.24 g/mol
Exact Mass325.09
IUPAC NameN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncc[nH]1)c1c(Br)cnn1C(C)C
InChIInChI=1S/C13H20BrN5/c1-4-5-15-11(13-16-6-7-17-13)12-10(14)8-18-19(12)9(2)3/h6-9,11,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyNEBYTGUJXFIDMV-UHFFFAOYSA-N
XLogP3.04
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 114659833
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 114659314
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646986
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105183873
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chlorophenyl)methyl]propan-1-amine
CID 114646362
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 114659398
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648745
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830600
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114655928
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]ethanamine
CID 114659820
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 114661534
N-[6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
CID 105042082

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine (CID 114658484) is N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine is CCCNC(c1ncc[nH]1)c1c(Br)cnn1C(C)C.
What is the InChIKey of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine?
The InChIKey is NEBYTGUJXFIDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN5/c1-4-5-15-11(13-16-6-7-17-13)12-10(14)8-18-19(12)9(2)3/h6-9,11,15H,4-5H2,1-3H3,(H,16,17).
What are the key properties of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine?
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine has a molecular weight of 326.24 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114658484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).