(4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone

C14H15BrN2O3S — CID 115804705

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H15BrN2O3S/c1-3-8-17-13(12(15)9-16-17)14(18)10-4-6-11(7-5-10)21(2,19)20/h4-7,9H,3,8H2,1-2H3
InChIKeyMNOCSUCUQALUCK-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.69
Rot. Bonds5

About (4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone

(4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone (PubChem CID 115804705) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone
PubChem CID115804705
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H15BrN2O3S/c1-3-8-17-13(12(15)9-16-17)14(18)10-4-6-11(7-5-10)21(2,19)20/h4-7,9H,3,8H2,1-2H3
InChIKeyMNOCSUCUQALUCK-UHFFFAOYSA-N
XLogP2.69
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
CID 115804503
(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
CID 105130506
(4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 115804628
(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641947
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(E)-1-(4-bromo-1-propylpyrazol-5-yl)but-2-en-1-one
CID 103453393
1-(4-bromo-1-propylpyrazol-5-yl)-3-methylbut-2-en-1-one
CID 103455565
(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
CID 114642221
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
(4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone
CID 114640203
(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone
CID 115804609
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802906

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone (CID 115804705) is (4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone is CCCn1ncc(Br)c1C(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is MNOCSUCUQALUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-3-8-17-13(12(15)9-16-17)14(18)10-4-6-11(7-5-10)21(2,19)20/h4-7,9H,3,8H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone?
(4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 371.26 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 115804705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).