3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine

C14H18BrN3 — CID 114667287

IUPAC3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1c(Br)cnn1C)c1ccccc1
InChIInChI=1S/C14H18BrN3/c1-16-9-12(11-6-4-3-5-7-11)8-14-13(15)10-17-18(14)2/h3-7,10,12,16H,8-9H2,1-2H3
InChIKeyPOSIIHFHJLBPAC-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.73
Rot. Bonds5

About 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine

3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine (PubChem CID 114667287) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine
PubChem CID114667287
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1c(Br)cnn1C)c1ccccc1
InChIInChI=1S/C14H18BrN3/c1-16-9-12(11-6-4-3-5-7-11)8-14-13(15)10-17-18(14)2/h3-7,10,12,16H,8-9H2,1-2H3
InChIKeyPOSIIHFHJLBPAC-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine
CID 114667316
3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664458
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-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol
CID 154781323
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine
CID 79449234
3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106647002
3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine
CID 83895039
N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine
CID 103019984
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105054099
4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81024067
3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106943910

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine (CID 114667287) is 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine is CNCC(Cc1c(Br)cnn1C)c1ccccc1.
What is the InChIKey of 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine?
The InChIKey is POSIIHFHJLBPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-16-9-12(11-6-4-3-5-7-11)8-14-13(15)10-17-18(14)2/h3-7,10,12,16H,8-9H2,1-2H3.
What are the key properties of 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine?
3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 114667287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).