(1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid

C6H8FN3O3S — CID 146571399

IUPAC(1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid
SMILESCCn1ncc(F)c1S(=O)NC(=O)O
InChIInChI=1S/C6H8FN3O3S/c1-2-10-5(4(7)3-8-10)14(13)9-6(11)12/h3,9H,2H2,1H3,(H,11,12)
InChIKeyLYTGIODGVQQRPJ-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.33
Rot. Bonds3

About (1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid

(1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid (PubChem CID 146571399) has the molecular formula C6H8FN3O3S and a molecular weight of 221.21 g/mol. Its IUPAC name is (1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid.

Molecular Properties

Compound Name(1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid
PubChem CID146571399
Molecular FormulaC6H8FN3O3S
Molecular Weight221.21 g/mol
Exact Mass221.03
IUPAC Name(1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid
SMILESCCn1ncc(F)c1S(=O)NC(=O)O
InChIInChI=1S/C6H8FN3O3S/c1-2-10-5(4(7)3-8-10)14(13)9-6(11)12/h3,9H,2H2,1H3,(H,11,12)
InChIKeyLYTGIODGVQQRPJ-UHFFFAOYSA-N
XLogP0.33
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid 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

2-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570516
1-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570546
[Amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-lambda6-sulfanylidene]carbamic acid
CID 146571275
1-Ethyl-4-fluoropyrazole-5-sulfinamide
CID 146571466
N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-lambda6-sulfanylidene]acetamide
CID 146617724
tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-lambda6-sulfanylidene]carbamate
CID 146618668
3-(Aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole
CID 150170632
1-Ethyl-4-fluoropyrazole-3-sulfinamide
CID 153587858
tert-butyl N-(1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamate
CID 153588485
4-Fluoro-1-isopropyl-1H-pyrazole-3-sulfonamide
CID 153592388
[amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-lambda6-sulfanylidene]urea
CID 154662082
[amino-[4-fluoro-1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-oxo-lambda6-sulfanylidene]urea
CID 154662101

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid?
The IUPAC name of (1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid (CID 146571399) is (1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid.
What is the SMILES notation for (1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid?
The canonical SMILES for (1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid is CCn1ncc(F)c1S(=O)NC(=O)O.
What is the InChIKey of (1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid?
The InChIKey is LYTGIODGVQQRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O3S/c1-2-10-5(4(7)3-8-10)14(13)9-6(11)12/h3,9H,2H2,1H3,(H,11,12).
What are the key properties of (1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid?
(1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid has a molecular weight of 221.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid is sourced from PubChem (CID 146571399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).