N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

C20H19F3N4O2S — CID 72718765

IUPACN-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1nc(-c2ccccn2)cc1C1CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O2S/c21-20(22,23)15-6-8-16(9-7-15)30(28,29)25-11-12-27-19(14-4-5-14)13-18(26-27)17-3-1-2-10-24-17/h1-3,6-10,13-14,25H,4-5,11-12H2
InChIKeyBFOOLDVKMCFXKB-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.82
Rot. Bonds7

About N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 72718765) has the molecular formula C20H19F3N4O2S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID72718765
Molecular FormulaC20H19F3N4O2S
Molecular Weight436.46 g/mol
Exact Mass436.12
IUPAC NameN-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1nc(-c2ccccn2)cc1C1CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O2S/c21-20(22,23)15-6-8-16(9-7-15)30(28,29)25-11-12-27-19(14-4-5-14)13-18(26-27)17-3-1-2-10-24-17/h1-3,6-10,13-14,25H,4-5,11-12H2
InChIKeyBFOOLDVKMCFXKB-UHFFFAOYSA-N
XLogP3.82
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (CID 72718765) is N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCn1nc(-c2ccccn2)cc1C1CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BFOOLDVKMCFXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2S/c21-20(22,23)15-6-8-16(9-7-15)30(28,29)25-11-12-27-19(14-4-5-14)13-18(26-27)17-3-1-2-10-24-17/h1-3,6-10,13-14,25H,4-5,11-12H2.
What are the key properties of N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 436.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 72718765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).