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

C13H16BrN3 — CID 103009628

IUPAC1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)c2ccccc2Br)cn1
InChIInChI=1S/C13H16BrN3/c1-17-9-10(8-16-17)6-7-13(15)11-4-2-3-5-12(11)14/h2-5,8-9,13H,6-7,15H2,1H3
InChIKeySDBHMDWLMWTREL-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.82
Rot. Bonds4

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

1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103009628) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103009628
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)c2ccccc2Br)cn1
InChIInChI=1S/C13H16BrN3/c1-17-9-10(8-16-17)6-7-13(15)11-4-2-3-5-12(11)14/h2-5,8-9,13H,6-7,15H2,1H3
InChIKeySDBHMDWLMWTREL-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006091
1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030310
3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine
CID 103029571
1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030043
4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole
CID 79454417
(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230
3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine
CID 103030204
4-[4-bromo-3-(2-methylphenyl)butyl]-1-methylpyrazole
CID 103018532
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641
1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030201
2-[(2-bromophenyl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014397
1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822012

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103009628) is 1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is Cn1cc(CCC(N)c2ccccc2Br)cn1.
What is the InChIKey of 1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is SDBHMDWLMWTREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-17-9-10(8-16-17)6-7-13(15)11-4-2-3-5-12(11)14/h2-5,8-9,13H,6-7,15H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 294.20 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103009628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).