1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

C17H24BrN3 — CID 103030121

IUPAC1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)c1ccc(C)cc1Br
InChIInChI=1S/C17H24BrN3/c1-4-9-19-17(8-6-14-11-20-21(3)12-14)15-7-5-13(2)10-16(15)18/h5,7,10-12,17,19H,4,6,8-9H2,1-3H3
InChIKeyQKKNGZAWSDPVEE-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.16
Rot. Bonds7

About 1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 103030121) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID103030121
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)c1ccc(C)cc1Br
InChIInChI=1S/C17H24BrN3/c1-4-9-19-17(8-6-14-11-20-21(3)12-14)15-7-5-13(2)10-16(15)18/h5,7,10-12,17,19H,4,6,8-9H2,1-3H3
InChIKeyQKKNGZAWSDPVEE-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030048
3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 103011529
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103029843
1-(5-methylfuran-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030136
1-(2-bromo-4-methylphenyl)-N-propyloctan-1-amine
CID 115832077
1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010148
1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107977898
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011734
N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996088
1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030043
1-(2-bromo-4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103778176
N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878627

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (CID 103030121) is 1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(CCc1cnn(C)c1)c1ccc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is QKKNGZAWSDPVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-4-9-19-17(8-6-14-11-20-21(3)12-14)15-7-5-13(2)10-16(15)18/h5,7,10-12,17,19H,4,6,8-9H2,1-3H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103030121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).