3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid

C11H15N5O4S — CID 43543581

IUPAC3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1cc(NS(=O)(=O)c2cnn(CCC(=O)O)c2)cn1
InChIInChI=1S/C11H15N5O4S/c1-2-15-7-9(5-12-15)14-21(19,20)10-6-13-16(8-10)4-3-11(17)18/h5-8,14H,2-4H2,1H3,(H,17,18)
InChIKeyWHEHQMHPRQDCRZ-UHFFFAOYSA-N
MW313.34 g/mol
LogP0.38
Rot. Bonds7

About 3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid

3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 43543581) has the molecular formula C11H15N5O4S and a molecular weight of 313.34 g/mol. Its IUPAC name is 3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID43543581
Molecular FormulaC11H15N5O4S
Molecular Weight313.34 g/mol
Exact Mass313.08
IUPAC Name3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1cc(NS(=O)(=O)c2cnn(CCC(=O)O)c2)cn1
InChIInChI=1S/C11H15N5O4S/c1-2-15-7-9(5-12-15)14-21(19,20)10-6-13-16(8-10)4-3-11(17)18/h5-8,14H,2-4H2,1H3,(H,17,18)
InChIKeyWHEHQMHPRQDCRZ-UHFFFAOYSA-N
XLogP0.38
TPSA119.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 2-[4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylamino]pyrazol-1-yl]acetate
CID 121555592
3-(4-Pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid
CID 43513469
3-[4-(Propylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513474
3-[4-(2-Methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513477
3-[4-(Tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513486
3-[4-(Propan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513489
3-[4-(Butan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513499
3-[4-(Pentan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513511
3-[4-[2-(Dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513517
3-[4-(Ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
3-[4-[(2-Amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513529
3-[4-[2-(Diethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513565

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid (CID 43543581) is 3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid is CCn1cc(NS(=O)(=O)c2cnn(CCC(=O)O)c2)cn1.
What is the InChIKey of 3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is WHEHQMHPRQDCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4S/c1-2-15-7-9(5-12-15)14-21(19,20)10-6-13-16(8-10)4-3-11(17)18/h5-8,14H,2-4H2,1H3,(H,17,18).
What are the key properties of 3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 313.34 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43543581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).