2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid

C15H18N4O5S — CID 120696781

IUPAC2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)c2cccc(CS(N)(=O)=O)c2)cn1
InChIInChI=1S/C15H18N4O5S/c1-15(2,14(21)22)19-8-12(7-17-19)18-13(20)11-5-3-4-10(6-11)9-25(16,23)24/h3-8H,9H2,1-2H3,(H,18,20)(H,21,22)(H2,16,23,24)
InChIKeyHXLMAFMMVPOYAN-UHFFFAOYSA-N
MW366.40 g/mol
LogP0.74
Rot. Bonds6

About 2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid (PubChem CID 120696781) has the molecular formula C15H18N4O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid
PubChem CID120696781
Molecular FormulaC15H18N4O5S
Molecular Weight366.40 g/mol
Exact Mass366.10
IUPAC Name2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)c2cccc(CS(N)(=O)=O)c2)cn1
InChIInChI=1S/C15H18N4O5S/c1-15(2,14(21)22)19-8-12(7-17-19)18-13(20)11-5-3-4-10(6-11)9-25(16,23)24/h3-8H,9H2,1-2H3,(H,18,20)(H,21,22)(H2,16,23,24)
InChIKeyHXLMAFMMVPOYAN-UHFFFAOYSA-N
XLogP0.74
TPSA144.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-[4-[[3-(trifluoromethoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696478
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
2-[4-[(5-bromothiophene-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696576
2-[4-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697747
ethyl 2-[4-[(3-aminobenzoyl)amino]pyrazol-1-yl]-2-methylpropanoate
CID 119822684
2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697248
2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 129470093
2-methyl-2-[4-[(5-methylsulfonylfuran-2-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696515
2-[4-(1,3-benzodioxole-5-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697282
2-methyl-2-[4-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120697314
2-methyl-2-[4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid
CID 120696625

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid (CID 120696781) is 2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid is CC(C)(C(=O)O)n1cc(NC(=O)c2cccc(CS(N)(=O)=O)c2)cn1.
What is the InChIKey of 2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid?
The InChIKey is HXLMAFMMVPOYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S/c1-15(2,14(21)22)19-8-12(7-17-19)18-13(20)11-5-3-4-10(6-11)9-25(16,23)24/h3-8H,9H2,1-2H3,(H,18,20)(H,21,22)(H2,16,23,24).
What are the key properties of 2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid has a molecular weight of 366.40 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 120696781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).