1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine

C15H20BrN3 — CID 105089319

IUPAC1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCc1nn(C)c(C)c1CC(N)Cc1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-10-15(11(2)19(3)18-10)9-14(17)8-12-4-6-13(16)7-5-12/h4-7,14H,8-9,17H2,1-3H3
InChIKeyCOCOHQAVUUVFER-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.91
Rot. Bonds4

About 1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine

1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (PubChem CID 105089319) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
PubChem CID105089319
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCc1nn(C)c(C)c1CC(N)Cc1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-10-15(11(2)19(3)18-10)9-14(17)8-12-4-6-13(16)7-5-12/h4-7,14H,8-9,17H2,1-3H3
InChIKeyCOCOHQAVUUVFER-UHFFFAOYSA-N
XLogP2.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105089316
1-(4-bromophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 43695533
1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105077459
1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105114109
1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105088724
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine
CID 113470210
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
1-(1,3,5-trimethylpyrazol-4-yl)hex-4-yn-2-amine
CID 105112523
1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126436
1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105118289
1-(3,4-difluorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105176047

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (CID 105089319) is 1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is Cc1nn(C)c(C)c1CC(N)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The InChIKey is COCOHQAVUUVFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10-15(11(2)19(3)18-10)9-14(17)8-12-4-6-13(16)7-5-12/h4-7,14H,8-9,17H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 2.91, 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-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 105089319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).