2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid

C11H16N4O4S — CID 60950901

IUPAC2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCCN(CC(C)C#N)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C11H16N4O4S/c1-3-15(6-9(2)4-12)20(18,19)10-5-13-14(7-10)8-11(16)17/h5,7,9H,3,6,8H2,1-2H3,(H,16,17)
InChIKeyYUFAACSJVOVQHJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.14
Rot. Bonds7

About 2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 60950901) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID60950901
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCCN(CC(C)C#N)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C11H16N4O4S/c1-3-15(6-9(2)4-12)20(18,19)10-5-13-14(7-10)8-11(16)17/h5,7,9H,3,6,8H2,1-2H3,(H,16,17)
InChIKeyYUFAACSJVOVQHJ-UHFFFAOYSA-N
XLogP0.14
TPSA116.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511008
2-[4-[2-ethoxyethyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63698100
2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 104551510
3-[4-[2-cyanoethyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 60950772
2-[4-[methyl(2-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63983446
2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 61039541
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344
4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61384905
2-[4-[2-methoxyethyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 82948368
2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60951551
3-[4-[butyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513598
N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide
CID 61384877

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 60950901) is 2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid is CCN(CC(C)C#N)S(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is YUFAACSJVOVQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-3-15(6-9(2)4-12)20(18,19)10-5-13-14(7-10)8-11(16)17/h5,7,9H,3,6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 300.34 g/mol, XLogP of 0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 60950901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).