N,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide

C13H19N5O3S — CID 164612118

IUPACN,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CCCOc1cnccn1
InChIInChI=1S/C13H19N5O3S/c1-10-13(11(2)17-16-10)22(19,20)18(3)7-4-8-21-12-9-14-5-6-15-12/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyFGTOSFHBBXPAMV-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.91
Rot. Bonds7

About N,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide

N,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 164612118) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide
PubChem CID164612118
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC NameN,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CCCOc1cnccn1
InChIInChI=1S/C13H19N5O3S/c1-10-13(11(2)17-16-10)22(19,20)18(3)7-4-8-21-12-9-14-5-6-15-12/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyFGTOSFHBBXPAMV-UHFFFAOYSA-N
XLogP0.91
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide (CID 164612118) is N,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)CCCOc1cnccn1.
What is the InChIKey of N,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is FGTOSFHBBXPAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-10-13(11(2)17-16-10)22(19,20)18(3)7-4-8-21-12-9-14-5-6-15-12/h5-6,9H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of N,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide?
N,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(3-pyrazin-2-yloxypropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 164612118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).