N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide

C9H14F3N3O2S — CID 102692168

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H14F3N3O2S/c1-7(2)5-15(6-9(10,11)12)18(16,17)8-3-4-13-14-8/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeySBOGXPAKKGUFDH-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.62
Rot. Bonds5

About N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692168) has the molecular formula C9H14F3N3O2S and a molecular weight of 285.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102692168
Molecular FormulaC9H14F3N3O2S
Molecular Weight285.29 g/mol
Exact Mass285.08
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H14F3N3O2S/c1-7(2)5-15(6-9(10,11)12)18(16,17)8-3-4-13-14-8/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeySBOGXPAKKGUFDH-UHFFFAOYSA-N
XLogP1.62
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrazole-3-sulfonamide
CID 17928041
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691910
N-fluoro-1H-pyrazole-5-sulfonamide
CID 140446780
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268117
N-methyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65773206
4-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65774355
4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65784435
N-ethyl-4-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65784603
4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65784984
N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65785945
4-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65786162
4-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
CID 65796693

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide (CID 102692168) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide is CC(C)CN(CC(F)(F)F)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is SBOGXPAKKGUFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S/c1-7(2)5-15(6-9(10,11)12)18(16,17)8-3-4-13-14-8/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 285.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).