N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide

C12H18F3N3O2S — CID 167855781

IUPACN-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide
SMILESCc1cnn(C)c1S(=O)(=O)NC(C1CC1(C)C)C(F)(F)F
InChIInChI=1S/C12H18F3N3O2S/c1-7-6-16-18(4)10(7)21(19,20)17-9(12(13,14)15)8-5-11(8,2)3/h6,8-9,17H,5H2,1-4H3
InChIKeyAHPCEQOLNFTZDM-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.98
Rot. Bonds4

About N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide

N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide (PubChem CID 167855781) has the molecular formula C12H18F3N3O2S and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide
PubChem CID167855781
Molecular FormulaC12H18F3N3O2S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC NameN-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide
SMILESCc1cnn(C)c1S(=O)(=O)NC(C1CC1(C)C)C(F)(F)F
InChIInChI=1S/C12H18F3N3O2S/c1-7-6-16-18(4)10(7)21(19,20)17-9(12(13,14)15)8-5-11(8,2)3/h6,8-9,17H,5H2,1-4H3
InChIKeyAHPCEQOLNFTZDM-UHFFFAOYSA-N
XLogP1.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide 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-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide?
The IUPAC name of N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide (CID 167855781) is N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide.
What is the SMILES notation for N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide?
The canonical SMILES for N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide is Cc1cnn(C)c1S(=O)(=O)NC(C1CC1(C)C)C(F)(F)F.
What is the InChIKey of N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide?
The InChIKey is AHPCEQOLNFTZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2S/c1-7-6-16-18(4)10(7)21(19,20)17-9(12(13,14)15)8-5-11(8,2)3/h6,8-9,17H,5H2,1-4H3.
What are the key properties of N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide?
N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide has a molecular weight of 325.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide is sourced from PubChem (CID 167855781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).