3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride

C10H16FN3O3S — CID 167746392

IUPAC3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride
SMILESCCCCN(CC)C(=O)c1cc(S(=O)(=O)F)[nH]n1
InChIInChI=1S/C10H16FN3O3S/c1-3-5-6-14(4-2)10(15)8-7-9(13-12-8)18(11,16)17/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyREGXSXJQVUKASV-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.33
Rot. Bonds6

About 3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride

3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride (PubChem CID 167746392) has the molecular formula C10H16FN3O3S and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride
PubChem CID167746392
Molecular FormulaC10H16FN3O3S
Molecular Weight277.32 g/mol
Exact Mass277.09
IUPAC Name3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride
SMILESCCCCN(CC)C(=O)c1cc(S(=O)(=O)F)[nH]n1
InChIInChI=1S/C10H16FN3O3S/c1-3-5-6-14(4-2)10(15)8-7-9(13-12-8)18(11,16)17/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyREGXSXJQVUKASV-UHFFFAOYSA-N
XLogP1.33
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide
CID 154869419
3-(dipropylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride
CID 167752130
3-(cyclobutylmethylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride
CID 167813077
3-(pentan-3-ylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride
CID 167815771
3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride
CID 167815953
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
N-(2-hydroxyethyl)-5-sulfamoyl-1H-pyrazole-3-carboxamide
CID 175653433

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride?
The IUPAC name of 3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride (CID 167746392) is 3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride.
What is the SMILES notation for 3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride?
The canonical SMILES for 3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride is CCCCN(CC)C(=O)c1cc(S(=O)(=O)F)[nH]n1.
What is the InChIKey of 3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride?
The InChIKey is REGXSXJQVUKASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O3S/c1-3-5-6-14(4-2)10(15)8-7-9(13-12-8)18(11,16)17/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride?
3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride has a molecular weight of 277.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)carbamoyl]-1H-pyrazole-5-sulfonyl fluoride is sourced from PubChem (CID 167746392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).