1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine

C15H28BrN3 — CID 114648750

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1c(Br)cnn1CCC
InChIInChI=1S/C15H28BrN3/c1-5-9-17-14(8-7-12(3)4)15-13(16)11-18-19(15)10-6-2/h11-12,14,17H,5-10H2,1-4H3
InChIKeyPRPCTUONCOPCML-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.53
Rot. Bonds9

About 1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine

1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine (PubChem CID 114648750) 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)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
PubChem CID114648750
Molecular FormulaC15H28BrN3
Molecular Weight330.31 g/mol
Exact Mass329.15
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1c(Br)cnn1CCC
InChIInChI=1S/C15H28BrN3/c1-5-9-17-14(8-7-12(3)4)15-13(16)11-18-19(15)10-6-2/h11-12,14,17H,5-10H2,1-4H3
InChIKeyPRPCTUONCOPCML-UHFFFAOYSA-N
XLogP4.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 114653524
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648745
1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105041187
1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylsulfanyl-N-propylpropan-1-amine
CID 105184228
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethyl]propan-1-amine
CID 114660477
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105183476
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine
CID 105183470
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105183576
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine (CID 114648750) is 1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)C)c1c(Br)cnn1CCC.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is PRPCTUONCOPCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrN3/c1-5-9-17-14(8-7-12(3)4)15-13(16)11-18-19(15)10-6-2/h11-12,14,17H,5-10H2,1-4H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine?
1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 330.31 g/mol, XLogP of 4.53, 9 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)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114648750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).