3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide

C9H15F3N4O2S — CID 105359038

IUPAC3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)CCC(F)(F)F)c(N)nn1C
InChIInChI=1S/C9H15F3N4O2S/c1-6-7(8(13)14-16(6)3)19(17,18)15(2)5-4-9(10,11)12/h4-5H2,1-3H3,(H2,13,14)
InChIKeyFSMJMUAFFFWRAN-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.88
Rot. Bonds4

About 3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide

3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide (PubChem CID 105359038) has the molecular formula C9H15F3N4O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
PubChem CID105359038
Molecular FormulaC9H15F3N4O2S
Molecular Weight300.31 g/mol
Exact Mass300.09
IUPAC Name3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)CCC(F)(F)F)c(N)nn1C
InChIInChI=1S/C9H15F3N4O2S/c1-6-7(8(13)14-16(6)3)19(17,18)15(2)5-4-9(10,11)12/h4-5H2,1-3H3,(H2,13,14)
InChIKeyFSMJMUAFFFWRAN-UHFFFAOYSA-N
XLogP0.88
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide (CID 105359038) is 3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N(C)CCC(F)(F)F)c(N)nn1C.
What is the InChIKey of 3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide?
The InChIKey is FSMJMUAFFFWRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2S/c1-6-7(8(13)14-16(6)3)19(17,18)15(2)5-4-9(10,11)12/h4-5H2,1-3H3,(H2,13,14).
What are the key properties of 3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide?
3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide has a molecular weight of 300.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105359038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).