1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine

C15H28BrN3 — CID 105041187

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1c(Br)cnn1CCC)C(C)C(C)C
InChIInChI=1S/C15H28BrN3/c1-6-8-17-14(12(5)11(3)4)15-13(16)10-18-19(15)9-7-2/h10-12,14,17H,6-9H2,1-5H3
InChIKeyAPOOIJQAFIERNQ-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.39
Rot. Bonds8

About 1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine

1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine (PubChem CID 105041187) has the molecular formula C15H28BrN3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
PubChem CID105041187
Molecular FormulaC15H28BrN3
Molecular Weight330.31 g/mol
Exact Mass329.15
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1c(Br)cnn1CCC)C(C)C(C)C
InChIInChI=1S/C15H28BrN3/c1-6-8-17-14(12(5)11(3)4)15-13(16)10-18-19(15)9-7-2/h10-12,14,17H,6-9H2,1-5H3
InChIKeyAPOOIJQAFIERNQ-UHFFFAOYSA-N
XLogP4.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105053947
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine
CID 114661012
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 105043131
1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648750
N-[1-(4-bromo-1-ethylpyrazol-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517116
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine
CID 114661392
N-[1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-difluoroethyl]propan-1-amine
CID 103517124
1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651699
N-[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethyl]propan-1-amine
CID 114657566
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine (CID 105041187) is 1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine is CCCNC(c1c(Br)cnn1CCC)C(C)C(C)C.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is APOOIJQAFIERNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrN3/c1-6-8-17-14(12(5)11(3)4)15-13(16)10-18-19(15)9-7-2/h10-12,14,17H,6-9H2,1-5H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine?
1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 330.31 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 105041187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).