5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine

C9H9BrN4O2S — CID 165481641

IUPAC5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine
SMILESCS(=O)(=O)c1cnn(-c2c(N)cncc2Br)c1
InChIInChI=1S/C9H9BrN4O2S/c1-17(15,16)6-2-13-14(5-6)9-7(10)3-12-4-8(9)11/h2-5H,11H2,1H3
InChIKeyCUNLACZMDDVTEX-UHFFFAOYSA-N
MW317.17 g/mol
LogP1.02
Rot. Bonds2

About 5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine

5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine (PubChem CID 165481641) has the molecular formula C9H9BrN4O2S and a molecular weight of 317.17 g/mol. Its IUPAC name is 5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine
PubChem CID165481641
Molecular FormulaC9H9BrN4O2S
Molecular Weight317.17 g/mol
Exact Mass315.96
IUPAC Name5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine
SMILESCS(=O)(=O)c1cnn(-c2c(N)cncc2Br)c1
InChIInChI=1S/C9H9BrN4O2S/c1-17(15,16)6-2-13-14(5-6)9-7(10)3-12-4-8(9)11/h2-5H,11H2,1H3
InChIKeyCUNLACZMDDVTEX-UHFFFAOYSA-N
XLogP1.02
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6466340
1-ethyl-5-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6470411
1-methyl-N-(6-methylsulfanyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 72021800
5-Bromo-3-ethylsulfonyl-2-[1-(trifluoromethyl)pyrazol-3-yl]pyridine
CID 175387714
N-(2,6-difluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 103098160
N-(6-fluoro-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 103775655
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-fluoropyridine-3-sulfonamide
CID 115319855
N-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide
CID 146122810
N-(1-tert-butylpyrazol-4-yl)-5-fluoropyridine-3-sulfonamide
CID 154739294
5-bromo-4-fluoro-2-(4-methanesulfonyl-1H-pyrazol-1-yl)aniline
CID 165481547
4-bromo-5-fluoro-2-(4-methanesulfonyl-1H-pyrazol-1-yl)aniline
CID 165481548
N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 67981732

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine (CID 165481641) is 5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine is CS(=O)(=O)c1cnn(-c2c(N)cncc2Br)c1.
What is the InChIKey of 5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine?
The InChIKey is CUNLACZMDDVTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2S/c1-17(15,16)6-2-13-14(5-6)9-7(10)3-12-4-8(9)11/h2-5H,11H2,1H3.
What are the key properties of 5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine?
5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine has a molecular weight of 317.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 165481641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).