2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid

C10H15N3O4S — CID 55108733

IUPAC2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H15N3O4S/c1-5-9(6(2)12-11-5)18(16,17)13-8(10(14)15)7-3-4-7/h7-8,13H,3-4H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyYKIRQLOIKXCWPB-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.17
Rot. Bonds5

About 2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid

2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid (PubChem CID 55108733) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid
PubChem CID55108733
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H15N3O4S/c1-5-9(6(2)12-11-5)18(16,17)13-8(10(14)15)7-3-4-7/h7-8,13H,3-4H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyYKIRQLOIKXCWPB-UHFFFAOYSA-N
XLogP0.17
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid
CID 104935418
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid
CID 61145220
3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 103914964
3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 43091250
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43078991
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79027745
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031148
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103918614
2-cyclopropyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetic acid
CID 62695587
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 39404732
2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62694827
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
CID 79215852

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid (CID 55108733) is 2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid is Cc1n[nH]c(C)c1S(=O)(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid?
The InChIKey is YKIRQLOIKXCWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-5-9(6(2)12-11-5)18(16,17)13-8(10(14)15)7-3-4-7/h7-8,13H,3-4H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid?
2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid has a molecular weight of 273.31 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 55108733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).