N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C10H16F3N3O3S — CID 60959701

IUPACN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H16F3N3O3S/c1-2-19-5-3-4-16(8-10(11,12)13)20(17,18)9-6-14-15-7-9/h6-7H,2-5,8H2,1H3,(H,14,15)
InChIKeyZEMOMXSFXNSDED-UHFFFAOYSA-N
MW315.32 g/mol
LogP1.39
Rot. Bonds8

About N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60959701) has the molecular formula C10H16F3N3O3S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60959701
Molecular FormulaC10H16F3N3O3S
Molecular Weight315.32 g/mol
Exact Mass315.09
IUPAC NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H16F3N3O3S/c1-2-19-5-3-4-16(8-10(11,12)13)20(17,18)9-6-14-15-7-9/h6-7H,2-5,8H2,1H3,(H,14,15)
InChIKeyZEMOMXSFXNSDED-UHFFFAOYSA-N
XLogP1.39
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60959701) is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is CCOCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ZEMOMXSFXNSDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3S/c1-2-19-5-3-4-16(8-10(11,12)13)20(17,18)9-6-14-15-7-9/h6-7H,2-5,8H2,1H3,(H,14,15).
What are the key properties of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 315.32 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60959701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).