1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine

C15H20BrN3 — CID 114648837

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine
SMILESCCCn1ncc(Br)c1C(N)Cc1ccccc1C
InChIInChI=1S/C15H20BrN3/c1-3-8-19-15(13(16)10-18-19)14(17)9-12-7-5-4-6-11(12)2/h4-7,10,14H,3,8-9,17H2,1-2H3
InChIKeyZNFGBVSDQNVXKD-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.61
Rot. Bonds5

About 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine

1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine (PubChem CID 114648837) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine
PubChem CID114648837
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine
SMILESCCCn1ncc(Br)c1C(N)Cc1ccccc1C
InChIInChI=1S/C15H20BrN3/c1-3-8-19-15(13(16)10-18-19)14(17)9-12-7-5-4-6-11(12)2/h4-7,10,14H,3,8-9,17H2,1-2H3
InChIKeyZNFGBVSDQNVXKD-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105128010
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-bromophenyl)ethanamine
CID 114650069
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 105040397
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-chlorophenyl)ethanamine
CID 114649028
N-[(4-bromo-1-propylpyrazol-5-yl)-(2-methylphenyl)methyl]ethanamine
CID 114647689
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115835103
[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105205100
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine
CID 114648841
2-(2-bromophenyl)-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]ethanamine
CID 114650064
4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
CID 114664574
(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835104

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine (CID 114648837) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine is CCCn1ncc(Br)c1C(N)Cc1ccccc1C.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine?
The InChIKey is ZNFGBVSDQNVXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-3-8-19-15(13(16)10-18-19)14(17)9-12-7-5-4-6-11(12)2/h4-7,10,14H,3,8-9,17H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine?
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.61, 5 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-(2-methylphenyl)ethanamine is sourced from PubChem (CID 114648837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).