N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine

C17H24BrN3 — CID 114667316

IUPACN-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine
SMILESCn1ncc(Br)c1CC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H24BrN3/c1-17(2,3)19-11-14(13-8-6-5-7-9-13)10-16-15(18)12-20-21(16)4/h5-9,12,14,19H,10-11H2,1-4H3
InChIKeyBBDHUTWIEVSXJT-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.90
Rot. Bonds5

About N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine

N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine (PubChem CID 114667316) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine
PubChem CID114667316
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC NameN-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine
SMILESCn1ncc(Br)c1CC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H24BrN3/c1-17(2,3)19-11-14(13-8-6-5-7-9-13)10-16-15(18)12-20-21(16)4/h5-9,12,14,19H,10-11H2,1-4H3
InChIKeyBBDHUTWIEVSXJT-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine
CID 114667287
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-2-amine
CID 81023850
N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 114667317
3-(4-bromo-1-ethylpyrazol-5-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 114667307
2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine
CID 81024683
N-tert-butyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-phenylbutan-1-amine
CID 81028003
3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664458
N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine
CID 81023928
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499
N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine
CID 65431365
3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 114664528
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 82870237

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine (CID 114667316) is N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine is Cn1ncc(Br)c1CC(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine?
The InChIKey is BBDHUTWIEVSXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-17(2,3)19-11-14(13-8-6-5-7-9-13)10-16-15(18)12-20-21(16)4/h5-9,12,14,19H,10-11H2,1-4H3.
What are the key properties of N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine?
N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine has a molecular weight of 350.30 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114667316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).