N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide

C15H17FN4O2S — CID 167859014

IUPACN-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide
SMILESO=S(=O)(NC/C=C/c1ccc(F)cc1)c1cnn2c1CNCC2
InChIInChI=1S/C15H17FN4O2S/c16-13-5-3-12(4-6-13)2-1-7-19-23(21,22)15-11-18-20-9-8-17-10-14(15)20/h1-6,11,17,19H,7-10H2/b2-1+
InChIKeyGNXIBDDFDMOCEK-OWOJBTEDSA-N
MW336.39 g/mol
LogP1.12
Rot. Bonds5

About N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide

N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide (PubChem CID 167859014) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide.

Molecular Properties

Compound NameN-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide
PubChem CID167859014
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC NameN-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide
SMILESO=S(=O)(NC/C=C/c1ccc(F)cc1)c1cnn2c1CNCC2
InChIInChI=1S/C15H17FN4O2S/c16-13-5-3-12(4-6-13)2-1-7-19-23(21,22)15-11-18-20-9-8-17-10-14(15)20/h1-6,11,17,19H,7-10H2/b2-1+
InChIKeyGNXIBDDFDMOCEK-OWOJBTEDSA-N
XLogP1.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
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-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide?
The IUPAC name of N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide (CID 167859014) is N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide.
What is the SMILES notation for N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide?
The canonical SMILES for N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide is O=S(=O)(NC/C=C/c1ccc(F)cc1)c1cnn2c1CNCC2.
What is the InChIKey of N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide?
The InChIKey is GNXIBDDFDMOCEK-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c16-13-5-3-12(4-6-13)2-1-7-19-23(21,22)15-11-18-20-9-8-17-10-14(15)20/h1-6,11,17,19H,7-10H2/b2-1+.
What are the key properties of N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide?
N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide has a molecular weight of 336.39 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide is sourced from PubChem (CID 167859014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).