3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid

C12H21N3O4S — CID 43513702

IUPAC3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCCCN(C)S(=O)(=O)c1c(C)nn(CCC(=O)O)c1C
InChIInChI=1S/C12H21N3O4S/c1-5-7-14(4)20(18,19)12-9(2)13-15(10(12)3)8-6-11(16)17/h5-8H2,1-4H3,(H,16,17)
InChIKeyRHKKMOINDHRZQA-UHFFFAOYSA-N
MW303.38 g/mol
LogP1.01
Rot. Bonds7

About 3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid

3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 43513702) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID43513702
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCCCN(C)S(=O)(=O)c1c(C)nn(CCC(=O)O)c1C
InChIInChI=1S/C12H21N3O4S/c1-5-7-14(4)20(18,19)12-9(2)13-15(10(12)3)8-6-11(16)17/h5-8H2,1-4H3,(H,16,17)
InChIKeyRHKKMOINDHRZQA-UHFFFAOYSA-N
XLogP1.01
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide
CID 56827263
3-[4-(3-hydroxybutylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanoic acid
CID 64927715
2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 60951084
N-ethyl-1-[(2R)-2-hydroxy-2-phenylethyl]-N,3,5-trimethylpyrazole-4-sulfonamide
CID 97243222
1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
CID 115988244
2-[4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 43578716
2-[4-[1-methoxypropan-2-yl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 60952175
3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 50794639
3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid
CID 4137846
1-decyl-3,5-dimethylpyrazole-4-sulfonamide
CID 81336690
N-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide
CID 63397297
2-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]acetic acid
CID 106726393

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid (CID 43513702) is 3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid is CCCN(C)S(=O)(=O)c1c(C)nn(CCC(=O)O)c1C.
What is the InChIKey of 3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is RHKKMOINDHRZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-5-7-14(4)20(18,19)12-9(2)13-15(10(12)3)8-6-11(16)17/h5-8H2,1-4H3,(H,16,17).
What are the key properties of 3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 303.38 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).