N-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide

C13H23N3O3S — CID 91760524

IUPACN-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)NC(CC)C1CC(O)C1
InChIInChI=1S/C13H23N3O3S/c1-3-7-16-13(5-6-14-16)20(18,19)15-12(4-2)10-8-11(17)9-10/h5-6,10-12,15,17H,3-4,7-9H2,1-2H3
InChIKeyGFLBBQCEIBXNLJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.12
Rot. Bonds7

About N-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide

N-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide (PubChem CID 91760524) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide
PubChem CID91760524
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)NC(CC)C1CC(O)C1
InChIInChI=1S/C13H23N3O3S/c1-3-7-16-13(5-6-14-16)20(18,19)15-12(4-2)10-8-11(17)9-10/h5-6,10-12,15,17H,3-4,7-9H2,1-2H3
InChIKeyGFLBBQCEIBXNLJ-UHFFFAOYSA-N
XLogP1.12
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide (CID 91760524) is N-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide is CCCn1nccc1S(=O)(=O)NC(CC)C1CC(O)C1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide?
The InChIKey is GFLBBQCEIBXNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-7-16-13(5-6-14-16)20(18,19)15-12(4-2)10-8-11(17)9-10/h5-6,10-12,15,17H,3-4,7-9H2,1-2H3.
What are the key properties of N-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide?
N-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)propyl]-2-propylpyrazole-3-sulfonamide is sourced from PubChem (CID 91760524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).