3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid

C9H15N3O4S — CID 81066688

IUPAC3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid
SMILESCCC(CNS(=O)(=O)c1cn[nH]c1)CC(=O)O
InChIInChI=1S/C9H15N3O4S/c1-2-7(3-9(13)14)4-12-17(15,16)8-5-10-11-6-8/h5-7,12H,2-4H2,1H3,(H,10,11)(H,13,14)
InChIKeyCEBUEZTZHJHKTL-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.19
Rot. Bonds7

About 3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid

3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid (PubChem CID 81066688) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid
PubChem CID81066688
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid
SMILESCCC(CNS(=O)(=O)c1cn[nH]c1)CC(=O)O
InChIInChI=1S/C9H15N3O4S/c1-2-7(3-9(13)14)4-12-17(15,16)8-5-10-11-6-8/h5-7,12H,2-4H2,1H3,(H,10,11)(H,13,14)
InChIKeyCEBUEZTZHJHKTL-UHFFFAOYSA-N
XLogP0.19
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide
CID 106118415
3-[[(3,4-dichlorophenyl)sulfonylamino]methyl]pentanoic acid
CID 81066204
2-methyl-3-(1H-pyrazol-4-ylsulfonylamino)propanethioamide
CID 62665957
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630
3-[[(3,4-difluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 81066946
N-(3-bromo-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 114298119
N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide
CID 107158333
N-(4-chloro-2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 66089488
N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 54903887
N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 107158132
(2S)-4-methoxy-4-oxo-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 55136441

Frequently Asked Questions

What is the IUPAC name of 3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid?
The IUPAC name of 3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid (CID 81066688) is 3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid.
What is the SMILES notation for 3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid?
The canonical SMILES for 3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid is CCC(CNS(=O)(=O)c1cn[nH]c1)CC(=O)O.
What is the InChIKey of 3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid?
The InChIKey is CEBUEZTZHJHKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-2-7(3-9(13)14)4-12-17(15,16)8-5-10-11-6-8/h5-7,12H,2-4H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid?
3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid has a molecular weight of 261.30 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid is sourced from PubChem (CID 81066688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).