N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine

C13H22BrN3 — CID 66024880

IUPACN-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
SMILESCCNCC1(Cc2c(Br)c(CC)nn2C)CC1
InChIInChI=1S/C13H22BrN3/c1-4-10-12(14)11(17(3)16-10)8-13(6-7-13)9-15-5-2/h15H,4-9H2,1-3H3
InChIKeyGPMPWYCITLXFKL-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.68
Rot. Bonds6

About N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine

N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine (PubChem CID 66024880) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
PubChem CID66024880
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC NameN-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
SMILESCCNCC1(Cc2c(Br)c(CC)nn2C)CC1
InChIInChI=1S/C13H22BrN3/c1-4-10-12(14)11(17(3)16-10)8-13(6-7-13)9-15-5-2/h15H,4-9H2,1-3H3
InChIKeyGPMPWYCITLXFKL-UHFFFAOYSA-N
XLogP2.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine (CID 66024880) is N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine is CCNCC1(Cc2c(Br)c(CC)nn2C)CC1.
What is the InChIKey of N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine?
The InChIKey is GPMPWYCITLXFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-4-10-12(14)11(17(3)16-10)8-13(6-7-13)9-15-5-2/h15H,4-9H2,1-3H3.
What are the key properties of N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine?
N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine has a molecular weight of 300.24 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 66024880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).