4-chloro-1-ethylpyrazole-3-sulfinamide

C5H8ClN3OS — CID 138532372

IUPAC4-chloro-1-ethylpyrazole-3-sulfinamide
SMILESCCn1cc(Cl)c(S(N)=O)n1
InChIInChI=1S/C5H8ClN3OS/c1-2-9-3-4(6)5(8-9)11(7)10/h3H,2,7H2,1H3
InChIKeyBXKKIEHFMZQKGB-UHFFFAOYSA-N
MW193.66 g/mol
LogP0.54
Rot. Bonds2

About 4-chloro-1-ethylpyrazole-3-sulfinamide

4-chloro-1-ethylpyrazole-3-sulfinamide (PubChem CID 138532372) has the molecular formula C5H8ClN3OS and a molecular weight of 193.66 g/mol. Its IUPAC name is 4-chloro-1-ethylpyrazole-3-sulfinamide.

Molecular Properties

Compound Name4-chloro-1-ethylpyrazole-3-sulfinamide
PubChem CID138532372
Molecular FormulaC5H8ClN3OS
Molecular Weight193.66 g/mol
Exact Mass193.01
IUPAC Name4-chloro-1-ethylpyrazole-3-sulfinamide
SMILESCCn1cc(Cl)c(S(N)=O)n1
InChIInChI=1S/C5H8ClN3OS/c1-2-9-3-4(6)5(8-9)11(7)10/h3H,2,7H2,1H3
InChIKeyBXKKIEHFMZQKGB-UHFFFAOYSA-N
XLogP0.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.66
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-1-ethylpyrazole-3-sulfinamide 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

4-chloro-1-methyl-1H-pyrazole-3-sulfonyl chloride
CID 84027165
4-Chloro-1-methyl-1H-pyrazole-5-sulfonyl chloride
CID 50896671
4-chloro-1-(methoxymethyl)-1H-pyrazole-5-sulfonyl chloride
CID 91654369
2-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570516
1-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570546
1-Ethyl-4-fluoropyrazole-5-sulfinamide
CID 146571466
3-(Aminosulfonimidoyl)-1-(1-fluoroethyl)-4-methylpyrazole
CID 146618696
3-(Aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole
CID 150170632
1-Ethyl-4-fluoropyrazole-3-sulfinamide
CID 153587858
1-(1,1-Difluoroethyl)-4-fluoropyrazole-3-sulfinamide
CID 153588784
4-Fluoro-1-isopropyl-1H-pyrazole-3-sulfonamide
CID 153592388
3-(Aminosulfonimidoyl)-4-fluoro-1-propan-2-ylpyrazole
CID 167337050

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethylpyrazole-3-sulfinamide?
The IUPAC name of 4-chloro-1-ethylpyrazole-3-sulfinamide (CID 138532372) is 4-chloro-1-ethylpyrazole-3-sulfinamide.
What is the SMILES notation for 4-chloro-1-ethylpyrazole-3-sulfinamide?
The canonical SMILES for 4-chloro-1-ethylpyrazole-3-sulfinamide is CCn1cc(Cl)c(S(N)=O)n1.
What is the InChIKey of 4-chloro-1-ethylpyrazole-3-sulfinamide?
The InChIKey is BXKKIEHFMZQKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3OS/c1-2-9-3-4(6)5(8-9)11(7)10/h3H,2,7H2,1H3.
What are the key properties of 4-chloro-1-ethylpyrazole-3-sulfinamide?
4-chloro-1-ethylpyrazole-3-sulfinamide has a molecular weight of 193.66 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethylpyrazole-3-sulfinamide is sourced from PubChem (CID 138532372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).