3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine

C13H16BrN3 — CID 117474567

IUPAC3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine
SMILESCC(C)c1cc(Br)cc(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C13H16BrN3/c1-8(2)9-4-10(6-11(14)5-9)12-7-13(15)17(3)16-12/h4-8H,15H2,1-3H3
InChIKeyWZRSWIJJIPAXQY-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.56
Rot. Bonds2

About 3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine

3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117474567) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine
PubChem CID117474567
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine
SMILESCC(C)c1cc(Br)cc(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C13H16BrN3/c1-8(2)9-4-10(6-11(14)5-9)12-7-13(15)17(3)16-12/h4-8H,15H2,1-3H3
InChIKeyWZRSWIJJIPAXQY-UHFFFAOYSA-N
XLogP3.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117449534
3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117312392
1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921950
3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117456804
3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine
CID 83845433
3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine
CID 81323807
3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117319254
3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole
CID 166536436
1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride
CID 137347003
1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine
CID 117433998

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine (CID 117474567) is 3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine is CC(C)c1cc(Br)cc(-c2cc(N)n(C)n2)c1.
What is the InChIKey of 3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is WZRSWIJJIPAXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-8(2)9-4-10(6-11(14)5-9)12-7-13(15)17(3)16-12/h4-8H,15H2,1-3H3.
What are the key properties of 3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 294.20 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117474567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).