3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride

C9H12FN3O3S — CID 167813077

IUPAC3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride
SMILESO=C(NCC1CCC1)c1cc(S(=O)(=O)F)[nH]n1
InChIInChI=1S/C9H12FN3O3S/c10-17(15,16)8-4-7(12-13-8)9(14)11-5-6-2-1-3-6/h4,6H,1-3,5H2,(H,11,14)(H,12,13)
InChIKeyXSNVNPMVTKPILC-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.60
Rot. Bonds4

About 3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride

3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride (PubChem CID 167813077) has the molecular formula C9H12FN3O3S and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride
PubChem CID167813077
Molecular FormulaC9H12FN3O3S
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Name3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride
SMILESO=C(NCC1CCC1)c1cc(S(=O)(=O)F)[nH]n1
InChIInChI=1S/C9H12FN3O3S/c10-17(15,16)8-4-7(12-13-8)9(14)11-5-6-2-1-3-6/h4,6H,1-3,5H2,(H,11,14)(H,12,13)
InChIKeyXSNVNPMVTKPILC-UHFFFAOYSA-N
XLogP0.60
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride 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

3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride
CID 167746392
3-(dipropylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride
CID 167752130
3-(pentan-3-ylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride
CID 167815771
3-[methyl(propan-2-yl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride
CID 167844163
3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride
CID 167847959
3-(butylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride
CID 167871200
3-(3,3-dimethylbutylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride
CID 167984499

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride?
The IUPAC name of 3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride (CID 167813077) is 3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride.
What is the SMILES notation for 3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride?
The canonical SMILES for 3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride is O=C(NCC1CCC1)c1cc(S(=O)(=O)F)[nH]n1.
What is the InChIKey of 3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride?
The InChIKey is XSNVNPMVTKPILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3S/c10-17(15,16)8-4-7(12-13-8)9(14)11-5-6-2-1-3-6/h4,6H,1-3,5H2,(H,11,14)(H,12,13).
What are the key properties of 3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride?
3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride has a molecular weight of 261.28 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride is sourced from PubChem (CID 167813077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).