N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide

C10H16FN3O2S — CID 146571424

IUPACN-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1nn(C2CC2)cc1F
InChIInChI=1S/C10H16FN3O2S/c1-10(2,3)13-17(15,16)9-8(11)6-14(12-9)7-4-5-7/h6-7,13H,4-5H2,1-3H3
InChIKeyVCGHZDDYHRHKIF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.43
Rot. Bonds3

About N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide

N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide (PubChem CID 146571424) has the molecular formula C10H16FN3O2S and a molecular weight of 261.32 g/mol. Its IUPAC name is N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide
PubChem CID146571424
Molecular FormulaC10H16FN3O2S
Molecular Weight261.32 g/mol
Exact Mass261.09
IUPAC NameN-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1nn(C2CC2)cc1F
InChIInChI=1S/C10H16FN3O2S/c1-10(2,3)13-17(15,16)9-8(11)6-14(12-9)7-4-5-7/h6-7,13H,4-5H2,1-3H3
InChIKeyVCGHZDDYHRHKIF-UHFFFAOYSA-N
XLogP1.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 52601312
2-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570516
1-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570546
N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 146570568
N-tert-butyl-4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide
CID 146570571
1-(Difluoromethyl)-4-fluoropyrazole-3-sulfonamide
CID 146570733
N-tert-butyl-1-(1,1-difluoroethyl)-4-fluoropyrazole-3-sulfonamide
CID 146571303
1-(2-bromo-1,1-difluoroethyl)-N-tert-butyl-4-fluoropyrazole-3-sulfonamide
CID 146571305
1-[(E)-2-bromo-1-fluoroethenyl]-N-tert-butyl-4-fluoropyrazole-3-sulfonamide
CID 146571416
1-(2-bromo-1-fluoroethenyl)-N-tert-butyl-4-fluoropyrazole-3-sulfonamide
CID 146571418
1-(1,1-Difluoroethyl)-4-fluoropyrazole-3-sulfonamide
CID 146571427
1-Cyclopropyl-4-fluoropyrazole-3-sulfonamide
CID 146571472

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide?
The IUPAC name of N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide (CID 146571424) is N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide?
The canonical SMILES for N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide is CC(C)(C)NS(=O)(=O)c1nn(C2CC2)cc1F.
What is the InChIKey of N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide?
The InChIKey is VCGHZDDYHRHKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2S/c1-10(2,3)13-17(15,16)9-8(11)6-14(12-9)7-4-5-7/h6-7,13H,4-5H2,1-3H3.
What are the key properties of N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide?
N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-cyclopropyl-4-fluoropyrazole-3-sulfonamide is sourced from PubChem (CID 146571424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).