N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine

C11H20BrN3 — CID 114647831

IUPACN-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1c(Br)cnn1CCC
InChIInChI=1S/C11H20BrN3/c1-4-6-13-9(3)11-10(12)8-14-15(11)7-5-2/h8-9,13H,4-7H2,1-3H3
InChIKeyAKUKETDWDINCAB-UHFFFAOYSA-N
MW274.21 g/mol
LogP3.12
Rot. Bonds6

About N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine

N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine (PubChem CID 114647831) has the molecular formula C11H20BrN3 and a molecular weight of 274.21 g/mol. Its IUPAC name is N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
PubChem CID114647831
Molecular FormulaC11H20BrN3
Molecular Weight274.21 g/mol
Exact Mass273.08
IUPAC NameN-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1c(Br)cnn1CCC
InChIInChI=1S/C11H20BrN3/c1-4-6-13-9(3)11-10(12)8-14-15(11)7-5-2/h8-9,13H,4-7H2,1-3H3
InChIKeyAKUKETDWDINCAB-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105041187
1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648750
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 114653524
3-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114666827
N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 105041198
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine
CID 114661012
4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole
CID 114665550
N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105183524
N-[(4-bromo-1-propylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114654562
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105183476
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655691

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine (CID 114647831) is N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine is CCCNC(C)c1c(Br)cnn1CCC.
What is the InChIKey of N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is AKUKETDWDINCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3/c1-4-6-13-9(3)11-10(12)8-14-15(11)7-5-2/h8-9,13H,4-7H2,1-3H3.
What are the key properties of N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine?
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 274.21 g/mol, XLogP of 3.12, 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-1-propylpyrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114647831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).