[amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea

C7H12FN5O3S — CID 154662082

IUPAC[amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea
SMILESC[C@@H](O)Cn1cc(F)c(S(N)(=O)=NC(N)=O)n1
InChIInChI=1S/C7H12FN5O3S/c1-4(14)2-13-3-5(8)6(11-13)17(10,16)12-7(9)15/h3-4,14H,2H2,1H3,(H4,9,10,12,15,16)/t4-,17?/m1/s1
InChIKeyUNDJHEYDJBDLBF-BMCHFSDLSA-N
MW265.27 g/mol
LogP-0.82
Rot. Bonds3

About [amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea

[amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea (PubChem CID 154662082) has the molecular formula C7H12FN5O3S and a molecular weight of 265.27 g/mol. Its IUPAC name is [amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea.

Molecular Properties

Compound Name[amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea
PubChem CID154662082
Molecular FormulaC7H12FN5O3S
Molecular Weight265.27 g/mol
Exact Mass265.06
IUPAC Name[amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea
SMILESC[C@@H](O)Cn1cc(F)c(S(N)(=O)=NC(N)=O)n1
InChIInChI=1S/C7H12FN5O3S/c1-4(14)2-13-3-5(8)6(11-13)17(10,16)12-7(9)15/h3-4,14H,2H2,1H3,(H4,9,10,12,15,16)/t4-,17?/m1/s1
InChIKeyUNDJHEYDJBDLBF-BMCHFSDLSA-N
XLogP-0.82
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea 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-Fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide
CID 146570537
N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 146570568
N-tert-butyl-4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide
CID 146570571
4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 146570976
4-Fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide
CID 146570977
[Amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-lambda6-sulfanylidene]carbamic acid
CID 146571275
(1-Ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid
CID 146571399
N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-lambda6-sulfanylidene]acetamide
CID 146617724
1-[(2S)-3-bromo-2-hydroxybutyl]-4-fluoropyrazole-3-sulfonamide
CID 146618256
[amino-[4-fluoro-1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-oxo-lambda6-sulfanylidene]urea
CID 154662101
[Amino-[4-fluoro-1-(2-hydroxypropyl)pyrazol-3-yl]-oxo-lambda6-sulfanylidene]urea
CID 154662106
(2S)-1-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluoropyrazol-1-yl]propan-2-ol
CID 154662131

Frequently Asked Questions

What is the IUPAC name of [amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea?
The IUPAC name of [amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea (CID 154662082) is [amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea.
What is the SMILES notation for [amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea?
The canonical SMILES for [amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea is C[C@@H](O)Cn1cc(F)c(S(N)(=O)=NC(N)=O)n1.
What is the InChIKey of [amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea?
The InChIKey is UNDJHEYDJBDLBF-BMCHFSDLSA-N. The full InChI is InChI=1S/C7H12FN5O3S/c1-4(14)2-13-3-5(8)6(11-13)17(10,16)12-7(9)15/h3-4,14H,2H2,1H3,(H4,9,10,12,15,16)/t4-,17?/m1/s1.
What are the key properties of [amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea?
[amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea has a molecular weight of 265.27 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-λ6-sulfanylidene]urea is sourced from PubChem (CID 154662082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).