5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride

C10H13ClF3N3O3S — CID 65372730

IUPAC5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
SMILESCCc1[nH]nc(C(=O)N(CC)CC(F)(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C10H13ClF3N3O3S/c1-3-6-8(21(11,19)20)7(16-15-6)9(18)17(4-2)5-10(12,13)14/h3-5H2,1-2H3,(H,15,16)
InChIKeyNMRKIDLBNFEENP-UHFFFAOYSA-N
MW347.75 g/mol
LogP1.92
Rot. Bonds5

About 5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride

5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65372730) has the molecular formula C10H13ClF3N3O3S and a molecular weight of 347.75 g/mol. Its IUPAC name is 5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
PubChem CID65372730
Molecular FormulaC10H13ClF3N3O3S
Molecular Weight347.75 g/mol
Exact Mass347.03
IUPAC Name5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
SMILESCCc1[nH]nc(C(=O)N(CC)CC(F)(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C10H13ClF3N3O3S/c1-3-6-8(21(11,19)20)7(16-15-6)9(18)17(4-2)5-10(12,13)14/h3-5H2,1-2H3,(H,15,16)
InChIKeyNMRKIDLBNFEENP-UHFFFAOYSA-N
XLogP1.92
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride 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 5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride (CID 65372730) is 5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride is CCc1[nH]nc(C(=O)N(CC)CC(F)(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is NMRKIDLBNFEENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O3S/c1-3-6-8(21(11,19)20)7(16-15-6)9(18)17(4-2)5-10(12,13)14/h3-5H2,1-2H3,(H,15,16).
What are the key properties of 5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 347.75 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65372730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).