N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine

C17H24BrN3 — CID 82870027

IUPACN-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1ccn(C)n1)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrN3/c1-13(2)11-19-12-15(10-17-8-9-21(3)20-17)14-4-6-16(18)7-5-14/h4-9,13,15,19H,10-12H2,1-3H3
InChIKeyCOKGNEVURPADSC-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.75
Rot. Bonds7

About N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine

N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine (PubChem CID 82870027) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
PubChem CID82870027
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC NameN-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1ccn(C)n1)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrN3/c1-13(2)11-19-12-15(10-17-8-9-21(3)20-17)14-4-6-16(18)7-5-14/h4-9,13,15,19H,10-12H2,1-3H3
InChIKeyCOKGNEVURPADSC-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
CID 82871053
2-(4-bromophenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79441726
1-(2-methylpropylamino)-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82871126
2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82871414
1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876754
2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine
CID 79438543
N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 104810744
2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propanoic acid
CID 82868711
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 82870237
N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
CID 82871056
2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 79430125
N-ethyl-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871673

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine (CID 82870027) is N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine is CC(C)CNCC(Cc1ccn(C)n1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is COKGNEVURPADSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-13(2)11-19-12-15(10-17-8-9-21(3)20-17)14-4-6-16(18)7-5-14/h4-9,13,15,19H,10-12H2,1-3H3.
What are the key properties of N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine?
N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82870027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).