3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine

C13H16BrN3 — CID 115053250

IUPAC3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine
SMILESCc1cccc(-n2ncc(CCCN)c2Br)c1
InChIInChI=1S/C13H16BrN3/c1-10-4-2-6-12(8-10)17-13(14)11(9-16-17)5-3-7-15/h2,4,6,8-9H,3,5,7,15H2,1H3
InChIKeyCVELJUUIQNQFOO-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.83
Rot. Bonds4

About 3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine

3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine (PubChem CID 115053250) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine
PubChem CID115053250
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine
SMILESCc1cccc(-n2ncc(CCCN)c2Br)c1
InChIInChI=1S/C13H16BrN3/c1-10-4-2-6-12(8-10)17-13(14)11(9-16-17)5-3-7-15/h2,4,6,8-9H,3,5,7,15H2,1H3
InChIKeyCVELJUUIQNQFOO-UHFFFAOYSA-N
XLogP2.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
4-(bromomethyl)-5-ethyl-1-(3-methylphenyl)pyrazole
CID 66436392
N'-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]propane-1,3-diamine
CID 117210731
6-bromo-1-(3-methylphenyl)indazole
CID 142432399
3-[5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-amine
CID 115068409
4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine
CID 115069448
5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine
CID 83864052
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
CID 117210689
[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 66436584
4-(chloromethyl)-1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole
CID 66436395
3-(3-methylphenyl)propan-1-amine
CID 12666388

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine (CID 115053250) is 3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine is Cc1cccc(-n2ncc(CCCN)c2Br)c1.
What is the InChIKey of 3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine?
The InChIKey is CVELJUUIQNQFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-10-4-2-6-12(8-10)17-13(14)11(9-16-17)5-3-7-15/h2,4,6,8-9H,3,5,7,15H2,1H3.
What are the key properties of 3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine?
3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine has a molecular weight of 294.20 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 115053250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).