1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine

C13H16BrN3 — CID 62126436

IUPAC1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCn1cc(CC(N)Cc2ccc(Br)cc2)cn1
InChIInChI=1S/C13H16BrN3/c1-17-9-11(8-16-17)7-13(15)6-10-2-4-12(14)5-3-10/h2-5,8-9,13H,6-7,15H2,1H3
InChIKeyRJUMYDSEPGFSIU-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.30
Rot. Bonds4

About 1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine

1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine (PubChem CID 62126436) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
PubChem CID62126436
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCn1cc(CC(N)Cc2ccc(Br)cc2)cn1
InChIInChI=1S/C13H16BrN3/c1-17-9-11(8-16-17)7-13(15)6-10-2-4-12(14)5-3-10/h2-5,8-9,13H,6-7,15H2,1H3
InChIKeyRJUMYDSEPGFSIU-UHFFFAOYSA-N
XLogP2.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822012
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731684
1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 116661199
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463
5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 79954244
1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105114109
1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 107947322
1-(2-chloro-6-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63023518
1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821985
1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 79492316
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125918
1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine
CID 105113884

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine (CID 62126436) is 1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine is Cn1cc(CC(N)Cc2ccc(Br)cc2)cn1.
What is the InChIKey of 1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine?
The InChIKey is RJUMYDSEPGFSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-17-9-11(8-16-17)7-13(15)6-10-2-4-12(14)5-3-10/h2-5,8-9,13H,6-7,15H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine?
1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine has a molecular weight of 294.20 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 62126436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).