1-cyclopropyl-4-fluoropyrazole-3-sulfonamide

C6H8FN3O2S — CID 146571472

IUPAC1-cyclopropyl-4-fluoropyrazole-3-sulfonamide
SMILESNS(=O)(=O)c1nn(C2CC2)cc1F
InChIInChI=1S/C6H8FN3O2S/c7-5-3-10(4-1-2-4)9-6(5)13(8,11)12/h3-4H,1-2H2,(H2,8,11,12)
InChIKeyLGILAJFTVVWIHQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.00
Rot. Bonds2

About 1-cyclopropyl-4-fluoropyrazole-3-sulfonamide

1-cyclopropyl-4-fluoropyrazole-3-sulfonamide (PubChem CID 146571472) has the molecular formula C6H8FN3O2S and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-cyclopropyl-4-fluoropyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-4-fluoropyrazole-3-sulfonamide
PubChem CID146571472
Molecular FormulaC6H8FN3O2S
Molecular Weight205.21 g/mol
Exact Mass205.03
IUPAC Name1-cyclopropyl-4-fluoropyrazole-3-sulfonamide
SMILESNS(=O)(=O)c1nn(C2CC2)cc1F
InChIInChI=1S/C6H8FN3O2S/c7-5-3-10(4-1-2-4)9-6(5)13(8,11)12/h3-4H,1-2H2,(H2,8,11,12)
InChIKeyLGILAJFTVVWIHQ-UHFFFAOYSA-N
XLogP0.00
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1H-pyrazole-4-sulfonamide
CID 17262698
1-(propan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61394736
1-(cyclopropylmethyl)-1H-pyrazole-4-sulfonamide
CID 75355934
1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 81339718
1-(propan-2-yl)-1H-pyrazole-3-sulfonamide
CID 122480685
1-Cyclobutyl-1H-pyrazole-4-sulfonamide
CID 132313504
5-fluoro-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 112756776
1-(2,2-difluorocyclopropyl)-1H-pyrazole-3-sulfonyl chloride
CID 137943349
1-(3-fluoropropyl)-N,N-dimethylpyrazole-4-sulfonamide
CID 132383272
1-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide
CID 75355935
1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-sulfonamide
CID 145867445
2-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570516

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-fluoropyrazole-3-sulfonamide?
The IUPAC name of 1-cyclopropyl-4-fluoropyrazole-3-sulfonamide (CID 146571472) is 1-cyclopropyl-4-fluoropyrazole-3-sulfonamide.
What is the SMILES notation for 1-cyclopropyl-4-fluoropyrazole-3-sulfonamide?
The canonical SMILES for 1-cyclopropyl-4-fluoropyrazole-3-sulfonamide is NS(=O)(=O)c1nn(C2CC2)cc1F.
What is the InChIKey of 1-cyclopropyl-4-fluoropyrazole-3-sulfonamide?
The InChIKey is LGILAJFTVVWIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2S/c7-5-3-10(4-1-2-4)9-6(5)13(8,11)12/h3-4H,1-2H2,(H2,8,11,12).
What are the key properties of 1-cyclopropyl-4-fluoropyrazole-3-sulfonamide?
1-cyclopropyl-4-fluoropyrazole-3-sulfonamide has a molecular weight of 205.21 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-fluoropyrazole-3-sulfonamide is sourced from PubChem (CID 146571472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).