N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide

C10H18FN3O3S — CID 146570568

IUPACN-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
SMILESC[C@@H](O)Cn1cc(F)c(S(=O)(=O)NC(C)(C)C)n1
InChIInChI=1S/C10H18FN3O3S/c1-7(15)5-14-6-8(11)9(12-14)18(16,17)13-10(2,3)4/h6-7,13,15H,5H2,1-4H3/t7-/m1/s1
InChIKeyVOHRCASPKFXDSU-SSDOTTSWSA-N
MW279.34 g/mol
LogP0.48
Rot. Bonds4

About N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide

N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide (PubChem CID 146570568) has the molecular formula C10H18FN3O3S and a molecular weight of 279.34 g/mol. Its IUPAC name is N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
PubChem CID146570568
Molecular FormulaC10H18FN3O3S
Molecular Weight279.34 g/mol
Exact Mass279.11
IUPAC NameN-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
SMILESC[C@@H](O)Cn1cc(F)c(S(=O)(=O)NC(C)(C)C)n1
InChIInChI=1S/C10H18FN3O3S/c1-7(15)5-14-6-8(11)9(12-14)18(16,17)13-10(2,3)4/h6-7,13,15H,5H2,1-4H3/t7-/m1/s1
InChIKeyVOHRCASPKFXDSU-SSDOTTSWSA-N
XLogP0.48
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide
CID 146570537
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
N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide
CID 146571303
N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide
CID 146571424
1-[(2S)-3-bromo-2-hydroxybutyl]-4-fluoropyrazole-3-sulfonamide
CID 146618256
N-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide
CID 154662053
[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
[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 N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide?
The IUPAC name of N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide (CID 146570568) is N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide?
The canonical SMILES for N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide is C[C@@H](O)Cn1cc(F)c(S(=O)(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide?
The InChIKey is VOHRCASPKFXDSU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18FN3O3S/c1-7(15)5-14-6-8(11)9(12-14)18(16,17)13-10(2,3)4/h6-7,13,15H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide?
N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide has a molecular weight of 279.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 146570568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).