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

C11H18BrN3 — CID 107302738

IUPACN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine
SMILESCCC1CC1NCc1c(Br)c(C)nn1C
InChIInChI=1S/C11H18BrN3/c1-4-8-5-9(8)13-6-10-11(12)7(2)14-15(10)3/h8-9,13H,4-6H2,1-3H3
InChIKeyNNYXITOHJNYQLV-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.38
Rot. Bonds4

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

N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine (PubChem CID 107302738) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine
PubChem CID107302738
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine
SMILESCCC1CC1NCc1c(Br)c(C)nn1C
InChIInChI=1S/C11H18BrN3/c1-4-8-5-9(8)13-6-10-11(12)7(2)14-15(10)3/h8-9,13H,4-6H2,1-3H3
InChIKeyNNYXITOHJNYQLV-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one
CID 106189229
3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 66007024
4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962374
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine
CID 83015012
N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81034972
3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
CID 106469561
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-chlorocyclohexyl)methanamine
CID 106123739
2-[[3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041573
(2S,6R)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 104960036
4-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]butan-2-amine
CID 83187571
(2S)-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79249368
4-bromo-5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 79183615

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine?
The IUPAC name of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine (CID 107302738) is N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine.
What is the SMILES notation for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine?
The canonical SMILES for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine is CCC1CC1NCc1c(Br)c(C)nn1C.
What is the InChIKey of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine?
The InChIKey is NNYXITOHJNYQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-4-8-5-9(8)13-6-10-11(12)7(2)14-15(10)3/h8-9,13H,4-6H2,1-3H3.
What are the key properties of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine?
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine is sourced from PubChem (CID 107302738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).