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

C17H24BrN3 — CID 79429956

IUPACN-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1cnn(C)c1)c1cccc(Br)c1
InChIInChI=1S/C17H24BrN3/c1-13(2)9-19-11-16(7-14-10-20-21(3)12-14)15-5-4-6-17(18)8-15/h4-6,8,10,12-13,16,19H,7,9,11H2,1-3H3
InChIKeyAFFBIDXPWIJIQB-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.75
Rot. Bonds7

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

N-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine (PubChem CID 79429956) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine
PubChem CID79429956
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC NameN-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1cnn(C)c1)c1cccc(Br)c1
InChIInChI=1S/C17H24BrN3/c1-13(2)9-19-11-16(7-14-10-20-21(3)12-14)15-5-4-6-17(18)8-15/h4-6,8,10,12-13,16,19H,7,9,11H2,1-3H3
InChIKeyAFFBIDXPWIJIQB-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-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 79443440
2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 79430703
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62516241
2-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 66057828
N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014636
1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009371
N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62530457
2-(3-bromophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79442684
2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014697
N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 104810744
2-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 79438534
3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
CID 66057746

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine (CID 79429956) is N-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine is CC(C)CNCC(Cc1cnn(C)c1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is AFFBIDXPWIJIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-13(2)9-19-11-16(7-14-10-20-21(3)12-14)15-5-4-6-17(18)8-15/h4-6,8,10,12-13,16,19H,7,9,11H2,1-3H3.
What are the key properties of N-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine?
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-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-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79429956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).