1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine

C13H24BrN3 — CID 105054370

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1c(Br)cnn1C)C(C)CCC
InChIInChI=1S/C13H24BrN3/c1-5-7-10(3)12(15-8-6-2)13-11(14)9-16-17(13)4/h9-10,12,15H,5-8H2,1-4H3
InChIKeyJUCUEBWFYJBZIX-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.66
Rot. Bonds7

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine (PubChem CID 105054370) has the molecular formula C13H24BrN3 and a molecular weight of 302.26 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine
PubChem CID105054370
Molecular FormulaC13H24BrN3
Molecular Weight302.26 g/mol
Exact Mass301.12
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1c(Br)cnn1C)C(C)CCC
InChIInChI=1S/C13H24BrN3/c1-5-7-10(3)12(15-8-6-2)13-11(14)9-16-17(13)4/h9-10,12,15H,5-8H2,1-4H3
InChIKeyJUCUEBWFYJBZIX-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.66
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
1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114651756
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine
CID 114655999
1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105041187
N-[(4-bromo-1-methylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]propan-1-amine
CID 114660620
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
1-(4-bromo-1-methylpyrazol-5-yl)butylhydrazine
CID 105202210
[1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxypentyl]hydrazine
CID 105271805
N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106858842
1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105189818
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649244

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine (CID 105054370) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1c(Br)cnn1C)C(C)CCC.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is JUCUEBWFYJBZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3/c1-5-7-10(3)12(15-8-6-2)13-11(14)9-16-17(13)4/h9-10,12,15H,5-8H2,1-4H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 302.26 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 105054370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).