N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine

C11H20BrN3O — CID 114655999

IUPACN-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(COCC)c1c(Br)cnn1C
InChIInChI=1S/C11H20BrN3O/c1-4-6-13-10(8-16-5-2)11-9(12)7-14-15(11)3/h7,10,13H,4-6,8H2,1-3H3
InChIKeyFLSGRTIRWPSZQO-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.26
Rot. Bonds7

About N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine

N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine (PubChem CID 114655999) has the molecular formula C11H20BrN3O and a molecular weight of 290.21 g/mol. Its IUPAC name is N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine
PubChem CID114655999
Molecular FormulaC11H20BrN3O
Molecular Weight290.21 g/mol
Exact Mass289.08
IUPAC NameN-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(COCC)c1c(Br)cnn1C
InChIInChI=1S/C11H20BrN3O/c1-4-6-13-10(8-16-5-2)11-9(12)7-14-15(11)3/h7,10,13H,4-6,8H2,1-3H3
InChIKeyFLSGRTIRWPSZQO-UHFFFAOYSA-N
XLogP2.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenoxyethyl]propan-1-amine
CID 114649647
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114647443
1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105189818
1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105053947
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine
CID 114655981
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 114660904
1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine
CID 105054370
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 114659633
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine
CID 114657465
1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83840801
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 114646039

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine (CID 114655999) is N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine is CCCNC(COCC)c1c(Br)cnn1C.
What is the InChIKey of N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine?
The InChIKey is FLSGRTIRWPSZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-4-6-13-10(8-16-5-2)11-9(12)7-14-15(11)3/h7,10,13H,4-6,8H2,1-3H3.
What are the key properties of N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine?
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine has a molecular weight of 290.21 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine is sourced from PubChem (CID 114655999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).