3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide

C13H20N4O3S — CID 65374240

IUPAC3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1c(C(=O)N2CCCCCC2)n[nH]c1C1CC1
InChIInChI=1S/C13H20N4O3S/c14-21(19,20)12-10(9-5-6-9)15-16-11(12)13(18)17-7-3-1-2-4-8-17/h9H,1-8H2,(H,15,16)(H2,14,19,20)
InChIKeyZFFNPGCEVDBRCN-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.95
Rot. Bonds3

About 3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide

3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide (PubChem CID 65374240) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide
PubChem CID65374240
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1c(C(=O)N2CCCCCC2)n[nH]c1C1CC1
InChIInChI=1S/C13H20N4O3S/c14-21(19,20)12-10(9-5-6-9)15-16-11(12)13(18)17-7-3-1-2-4-8-17/h9H,1-8H2,(H,15,16)(H2,14,19,20)
InChIKeyZFFNPGCEVDBRCN-UHFFFAOYSA-N
XLogP0.95
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide (CID 65374240) is 3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide is NS(=O)(=O)c1c(C(=O)N2CCCCCC2)n[nH]c1C1CC1.
What is the InChIKey of 3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ZFFNPGCEVDBRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c14-21(19,20)12-10(9-5-6-9)15-16-11(12)13(18)17-7-3-1-2-4-8-17/h9H,1-8H2,(H,15,16)(H2,14,19,20).
What are the key properties of 3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide?
3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 65374240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).