5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C11H18F3N3O2S — CID 60959940

IUPAC5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C11H18F3N3O2S/c1-4-9(5-2)17(7-11(12,13)14)20(18,19)10-6-15-16-8(10)3/h6,9H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyRTYBLAKHHXWRCD-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.46
Rot. Bonds6

About 5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60959940) has the molecular formula C11H18F3N3O2S and a molecular weight of 313.35 g/mol. Its IUPAC name is 5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60959940
Molecular FormulaC11H18F3N3O2S
Molecular Weight313.35 g/mol
Exact Mass313.11
IUPAC Name5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C11H18F3N3O2S/c1-4-9(5-2)17(7-11(12,13)14)20(18,19)10-6-15-16-8(10)3/h6,9H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyRTYBLAKHHXWRCD-UHFFFAOYSA-N
XLogP2.46
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 112551419
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 64586680
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide
CID 60911348
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 54901433
N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60959234
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 62009033
N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60959000
N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 54944620
N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60912366
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308
5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60959944
N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929638

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60959940) is 5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is CCC(CC)N(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of 5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is RTYBLAKHHXWRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2S/c1-4-9(5-2)17(7-11(12,13)14)20(18,19)10-6-15-16-8(10)3/h6,9H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 313.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60959940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).