3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid

C9H15N3O4S — CID 81067072

IUPAC3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
SMILESCc1[nH]ncc1S(=O)(=O)NCC(C)CC(=O)O
InChIInChI=1S/C9H15N3O4S/c1-6(3-9(13)14)4-11-17(15,16)8-5-10-12-7(8)2/h5-6,11H,3-4H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyRSXCQBZCGIFJHS-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.11
Rot. Bonds6

About 3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid

3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid (PubChem CID 81067072) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
PubChem CID81067072
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
SMILESCc1[nH]ncc1S(=O)(=O)NCC(C)CC(=O)O
InChIInChI=1S/C9H15N3O4S/c1-6(3-9(13)14)4-11-17(15,16)8-5-10-12-7(8)2/h5-6,11H,3-4H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyRSXCQBZCGIFJHS-UHFFFAOYSA-N
XLogP0.11
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114298151
N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940
(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 104936012
2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 61248904
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 115427439
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022
N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106288856
N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248522
5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 104600711
5-methyl-N-[3-(propan-2-ylamino)propyl]-1H-pyrazole-4-sulfonamide
CID 54930150
2-[[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-3-pyridin-3-ylpropanoic acid
CID 146081413

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid?
The IUPAC name of 3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid (CID 81067072) is 3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid is Cc1[nH]ncc1S(=O)(=O)NCC(C)CC(=O)O.
What is the InChIKey of 3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid?
The InChIKey is RSXCQBZCGIFJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-6(3-9(13)14)4-11-17(15,16)8-5-10-12-7(8)2/h5-6,11H,3-4H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid?
3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid has a molecular weight of 261.30 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 81067072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).