4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine

C13H16BrN3S — CID 84607109

IUPAC4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine
SMILESCC(C)Sc1ccc(-c2nn(C)c(N)c2Br)cc1
InChIInChI=1S/C13H16BrN3S/c1-8(2)18-10-6-4-9(5-7-10)12-11(14)13(15)17(3)16-12/h4-8H,15H2,1-3H3
InChIKeyDNFPOMVPNNHUJY-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.93
Rot. Bonds3

About 4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine

4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine (PubChem CID 84607109) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine
PubChem CID84607109
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine
SMILESCC(C)Sc1ccc(-c2nn(C)c(N)c2Br)cc1
InChIInChI=1S/C13H16BrN3S/c1-8(2)18-10-6-4-9(5-7-10)12-11(14)13(15)17(3)16-12/h4-8H,15H2,1-3H3
InChIKeyDNFPOMVPNNHUJY-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole
CID 83746918
1-[4-bromo-2-methyl-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N-methylmethanamine
CID 84607147
4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine
CID 84611020
6-(5-amino-4-bromo-1-methylpyrazol-3-yl)-4H-1,4-benzoxazin-3-one
CID 84605322
2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine
CID 116864233
5-bromo-4-methyl-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole
CID 116887917
3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80523124
1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine
CID 79404540
3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 107988643
4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine
CID 90240870
4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile
CID 134439924
[4-bromo-5-(4-ethylsulfanylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 84607106

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine?
The IUPAC name of 4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine (CID 84607109) is 4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine?
The canonical SMILES for 4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine is CC(C)Sc1ccc(-c2nn(C)c(N)c2Br)cc1.
What is the InChIKey of 4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine?
The InChIKey is DNFPOMVPNNHUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-8(2)18-10-6-4-9(5-7-10)12-11(14)13(15)17(3)16-12/h4-8H,15H2,1-3H3.
What are the key properties of 4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine?
4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine has a molecular weight of 326.26 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine is sourced from PubChem (CID 84607109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).