4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine

C11H13BrN4O2S — CID 101485891

IUPAC4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine
SMILESCC(C)c1[nH]nc(Br)c1-c1ccnc(S(C)(=O)=O)n1
InChIInChI=1S/C11H13BrN4O2S/c1-6(2)9-8(10(12)16-15-9)7-4-5-13-11(14-7)19(3,17)18/h4-6H,1-3H3,(H,15,16)
InChIKeyDIDNOCZSLHOBMI-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.16
Rot. Bonds3

About 4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine

4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine (PubChem CID 101485891) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine
PubChem CID101485891
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC Name4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine
SMILESCC(C)c1[nH]nc(Br)c1-c1ccnc(S(C)(=O)=O)n1
InChIInChI=1S/C11H13BrN4O2S/c1-6(2)9-8(10(12)16-15-9)7-4-5-13-11(14-7)19(3,17)18/h4-6H,1-3H3,(H,15,16)
InChIKeyDIDNOCZSLHOBMI-UHFFFAOYSA-N
XLogP2.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[4,3-b]pyridine
CID 169234782
1-(2-methylsulfonylpyrimidin-4-yl)ethanamine
CID 84670120
4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one
CID 118447094
4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine
CID 86602591
2-methyl-5-(2-methylsulfonylpyrimidin-4-yl)-3-propan-2-ylindazole
CID 169234779
4,6-bis(2-methylsulfonylpyrimidin-4-yl)pyrimidine-2-carboxylic acid
CID 167248210
4,6-bis(2-methylsulfonylpyrimidin-4-yl)-1,3,5-triazine-2-carboxylic acid
CID 167248209
3-bromo-6-(2-methylsulfonylpyrimidin-4-yl)-2-(1,3-thiazol-2-yl)pyridin-4-amine
CID 138555360
4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine
CID 67397716
4-cyclobutyl-2-methylsulfonylpyrimidine
CID 82394382
3-(2-methylsulfonylpyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine
CID 58784245
1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine
CID 69399884

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine?
The IUPAC name of 4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine (CID 101485891) is 4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine?
The canonical SMILES for 4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine is CC(C)c1[nH]nc(Br)c1-c1ccnc(S(C)(=O)=O)n1.
What is the InChIKey of 4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine?
The InChIKey is DIDNOCZSLHOBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-6(2)9-8(10(12)16-15-9)7-4-5-13-11(14-7)19(3,17)18/h4-6H,1-3H3,(H,15,16).
What are the key properties of 4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine?
4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine has a molecular weight of 345.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)-2-methylsulfonylpyrimidine is sourced from PubChem (CID 101485891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).