N-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide

C9H12F3N3O2S — CID 166248586

IUPACN-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCC1)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C9H12F3N3O2S/c10-9(11,12)8-7(5-13-15-8)18(16,17)14-4-6-2-1-3-6/h5-6,14H,1-4H2,(H,13,15)
InChIKeyDTQJMZCMCLMSOG-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.51
Rot. Bonds4

About N-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide

N-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 166248586) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.28 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
PubChem CID166248586
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.28 g/mol
Exact Mass283.06
IUPAC NameN-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCC1)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C9H12F3N3O2S/c10-9(11,12)8-7(5-13-15-8)18(16,17)14-4-6-2-1-3-6/h5-6,14H,1-4H2,(H,13,15)
InChIKeyDTQJMZCMCLMSOG-UHFFFAOYSA-N
XLogP1.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide (CID 166248586) is N-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NCC1CCC1)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DTQJMZCMCLMSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c10-9(11,12)8-7(5-13-15-8)18(16,17)14-4-6-2-1-3-6/h5-6,14H,1-4H2,(H,13,15).
What are the key properties of N-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
N-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 283.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 166248586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).