3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide

C10H20N4O3S — CID 54879869

IUPAC3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CC)CCO)c(N)n1
InChIInChI=1S/C10H20N4O3S/c1-3-5-13-8-9(10(11)12-13)18(16,17)14(4-2)6-7-15/h8,15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyYUKRTCFGIBEBHX-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.12
Rot. Bonds7

About 3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide

3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 54879869) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide
PubChem CID54879869
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC Name3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CC)CCO)c(N)n1
InChIInChI=1S/C10H20N4O3S/c1-3-5-13-8-9(10(11)12-13)18(16,17)14(4-2)6-7-15/h8,15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyYUKRTCFGIBEBHX-UHFFFAOYSA-N
XLogP-0.12
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide (CID 54879869) is 3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(CC)CCO)c(N)n1.
What is the InChIKey of 3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is YUKRTCFGIBEBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-3-5-13-8-9(10(11)12-13)18(16,17)14(4-2)6-7-15/h8,15H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(2-hydroxyethyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 54879869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).