4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide

C8H10F3N3O3S — CID 106218444

IUPAC4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1[nH]ncc1CO
InChIInChI=1S/C8H10F3N3O3S/c9-8(10,11)7(1-2-7)14-18(16,17)6-5(4-15)3-12-13-6/h3,14-15H,1-2,4H2,(H,12,13)
InChIKeyLYUXONMVYFAQKM-UHFFFAOYSA-N
MW285.25 g/mol
LogP0.28
Rot. Bonds4

About 4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide

4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106218444) has the molecular formula C8H10F3N3O3S and a molecular weight of 285.25 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide
PubChem CID106218444
Molecular FormulaC8H10F3N3O3S
Molecular Weight285.25 g/mol
Exact Mass285.04
IUPAC Name4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1[nH]ncc1CO
InChIInChI=1S/C8H10F3N3O3S/c9-8(10,11)7(1-2-7)14-18(16,17)6-5(4-15)3-12-13-6/h3,14-15H,1-2,4H2,(H,12,13)
InChIKeyLYUXONMVYFAQKM-UHFFFAOYSA-N
XLogP0.28
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65729213
4-(hydroxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
CID 65732618
N-ethyl-4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65735104
4-(hydroxymethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65735503
4-(hydroxymethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65735885
N-cyclopropyl-4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65736267
4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
CID 65739955
[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyrazol-4-yl]methanol
CID 65740691
4-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65742247
4-(hydroxymethyl)-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 105946493
4-(hydroxymethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 105983582
5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106209139

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide (CID 106218444) is 4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(NC1(C(F)(F)F)CC1)c1[nH]ncc1CO.
What is the InChIKey of 4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is LYUXONMVYFAQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O3S/c9-8(10,11)7(1-2-7)14-18(16,17)6-5(4-15)3-12-13-6/h3,14-15H,1-2,4H2,(H,12,13).
What are the key properties of 4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide?
4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 285.25 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106218444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).