6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide

C19H17F3N4O3S — CID 166212670

IUPAC6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide
SMILESN#CC1CC2(C1)CC(C(=O)NS(=O)(=O)c1cnn(-c3cccc(C(F)(F)F)c3)c1)C2
InChIInChI=1S/C19H17F3N4O3S/c20-19(21,22)14-2-1-3-15(4-14)26-11-16(10-24-26)30(28,29)25-17(27)13-7-18(8-13)5-12(6-18)9-23/h1-4,10-13H,5-8H2,(H,25,27)
InChIKeySZIJYXLGRJNZAF-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.03
Rot. Bonds4

About 6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide

6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide (PubChem CID 166212670) has the molecular formula C19H17F3N4O3S and a molecular weight of 438.43 g/mol. Its IUPAC name is 6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide
PubChem CID166212670
Molecular FormulaC19H17F3N4O3S
Molecular Weight438.43 g/mol
Exact Mass438.10
IUPAC Name6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide
SMILESN#CC1CC2(C1)CC(C(=O)NS(=O)(=O)c1cnn(-c3cccc(C(F)(F)F)c3)c1)C2
InChIInChI=1S/C19H17F3N4O3S/c20-19(21,22)14-2-1-3-15(4-14)26-11-16(10-24-26)30(28,29)25-17(27)13-7-18(8-13)5-12(6-18)9-23/h1-4,10-13H,5-8H2,(H,25,27)
InChIKeySZIJYXLGRJNZAF-UHFFFAOYSA-N
XLogP3.03
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide
CID 166335489
N-(3-cyano-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 167876334
2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 110014624
N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 56790114
N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119785591
1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122084742
3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid
CID 58156960
4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 167784680
N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453020
5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 162542331
(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 10757758
N-[2-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 167928725

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide?
The IUPAC name of 6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide (CID 166212670) is 6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for 6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for 6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide is N#CC1CC2(C1)CC(C(=O)NS(=O)(=O)c1cnn(-c3cccc(C(F)(F)F)c3)c1)C2.
What is the InChIKey of 6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide?
The InChIKey is SZIJYXLGRJNZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3S/c20-19(21,22)14-2-1-3-15(4-14)26-11-16(10-24-26)30(28,29)25-17(27)13-7-18(8-13)5-12(6-18)9-23/h1-4,10-13H,5-8H2,(H,25,27).
What are the key properties of 6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide?
6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide has a molecular weight of 438.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 166212670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).