1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine

C13H16BrN3 — CID 82094414

IUPAC1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine
SMILESCCCc1cc(N)n(-c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C13H16BrN3/c1-3-4-10-7-13(15)17(16-10)11-6-5-9(2)12(14)8-11/h5-8H,3-4,15H2,1-2H3
InChIKeyKIORHRWBAYDYHI-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.48
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine

1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine (PubChem CID 82094414) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine
PubChem CID82094414
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine
SMILESCCCc1cc(N)n(-c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C13H16BrN3/c1-3-4-10-7-13(15)17(16-10)11-6-5-9(2)12(14)8-11/h5-8H,3-4,15H2,1-2H3
InChIKeyKIORHRWBAYDYHI-UHFFFAOYSA-N
XLogP3.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-propylpyrazol-5-amine
CID 82083521
1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine
CID 82089365
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine
CID 82085843
3-butyl-1-(4-fluorophenyl)pyrazol-5-amine
CID 82082766
3-heptyl-1-phenylpyrazol-5-amine
CID 43336725
2-[1-(3-bromo-4-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile
CID 82094251
3-butyl-1-pyridin-3-ylpyrazol-5-amine
CID 174520320
1-(2-fluorophenyl)-3-propylpyrazol-5-amine
CID 82079514
ethyl 4-(5-amino-3-butylpyrazol-1-yl)benzoate
CID 143256280
4-(5-amino-3-butylpyrazol-1-yl)-2-chlorobenzoic acid
CID 137427954
2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide
CID 143256407
4-(3,5-diethylpyrazol-1-yl)-2-methylaniline
CID 82693662

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine (CID 82094414) is 1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine is CCCc1cc(N)n(-c2ccc(C)c(Br)c2)n1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine?
The InChIKey is KIORHRWBAYDYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-3-4-10-7-13(15)17(16-10)11-6-5-9(2)12(14)8-11/h5-8H,3-4,15H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine?
1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine has a molecular weight of 294.20 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine is sourced from PubChem (CID 82094414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).