3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C11H19F3N4O2S — CID 61107859

IUPAC3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CC(F)(F)F)C(C)C)c(N)n1
InChIInChI=1S/C11H19F3N4O2S/c1-4-5-17-6-9(10(15)16-17)21(19,20)18(8(2)3)7-11(12,13)14/h6,8H,4-5,7H2,1-3H3,(H2,15,16)
InChIKeyDDTBWPSHFJLWCF-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.84
Rot. Bonds6

About 3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 61107859) has the molecular formula C11H19F3N4O2S and a molecular weight of 328.36 g/mol. Its IUPAC name is 3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID61107859
Molecular FormulaC11H19F3N4O2S
Molecular Weight328.36 g/mol
Exact Mass328.12
IUPAC Name3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CC(F)(F)F)C(C)C)c(N)n1
InChIInChI=1S/C11H19F3N4O2S/c1-4-5-17-6-9(10(15)16-17)21(19,20)18(8(2)3)7-11(12,13)14/h6,8H,4-5,7H2,1-3H3,(H2,15,16)
InChIKeyDDTBWPSHFJLWCF-UHFFFAOYSA-N
XLogP1.84
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 61107859) is 3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(CC(F)(F)F)C(C)C)c(N)n1.
What is the InChIKey of 3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is DDTBWPSHFJLWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O2S/c1-4-5-17-6-9(10(15)16-17)21(19,20)18(8(2)3)7-11(12,13)14/h6,8H,4-5,7H2,1-3H3,(H2,15,16).
What are the key properties of 3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 328.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 61107859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).