3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide

C10H20N4O2S — CID 54922758

IUPAC3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide
SMILESCCCN(C)S(=O)(=O)c1cn(CCC)nc1N
InChIInChI=1S/C10H20N4O2S/c1-4-6-13(3)17(15,16)9-8-14(7-5-2)12-10(9)11/h8H,4-7H2,1-3H3,(H2,11,12)
InChIKeyFAWSEXDKYBVRMO-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.91
Rot. Bonds6

About 3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide

3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide (PubChem CID 54922758) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide
PubChem CID54922758
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide
SMILESCCCN(C)S(=O)(=O)c1cn(CCC)nc1N
InChIInChI=1S/C10H20N4O2S/c1-4-6-13(3)17(15,16)9-8-14(7-5-2)12-10(9)11/h8H,4-7H2,1-3H3,(H2,11,12)
InChIKeyFAWSEXDKYBVRMO-UHFFFAOYSA-N
XLogP0.91
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide (CID 54922758) is 3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide is CCCN(C)S(=O)(=O)c1cn(CCC)nc1N.
What is the InChIKey of 3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide?
The InChIKey is FAWSEXDKYBVRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-4-6-13(3)17(15,16)9-8-14(7-5-2)12-10(9)11/h8H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide?
3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N,1-dipropylpyrazole-4-sulfonamide is sourced from PubChem (CID 54922758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).