N-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide

C11H17F3N4O2S — CID 167911723

IUPACN-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide
SMILESCN(C)CC1(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)CC1
InChIInChI=1S/C11H17F3N4O2S/c1-17(2)7-10(4-5-10)16-21(19,20)9-6-8(11(12,13)14)15-18(9)3/h6,16H,4-5,7H2,1-3H3
InChIKeyNJAJJJJKKAQWJU-UHFFFAOYSA-N
MW326.34 g/mol
LogP0.81
Rot. Bonds5

About N-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide

N-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide (PubChem CID 167911723) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is N-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide
PubChem CID167911723
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC NameN-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide
SMILESCN(C)CC1(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)CC1
InChIInChI=1S/C11H17F3N4O2S/c1-17(2)7-10(4-5-10)16-21(19,20)9-6-8(11(12,13)14)15-18(9)3/h6,16H,4-5,7H2,1-3H3
InChIKeyNJAJJJJKKAQWJU-UHFFFAOYSA-N
XLogP0.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide?
The IUPAC name of N-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide (CID 167911723) is N-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide.
What is the SMILES notation for N-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide?
The canonical SMILES for N-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide is CN(C)CC1(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)CC1.
What is the InChIKey of N-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide?
The InChIKey is NJAJJJJKKAQWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c1-17(2)7-10(4-5-10)16-21(19,20)9-6-8(11(12,13)14)15-18(9)3/h6,16H,4-5,7H2,1-3H3.
What are the key properties of N-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide?
N-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide has a molecular weight of 326.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide is sourced from PubChem (CID 167911723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).