1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide

C11H14F3N5O2S — CID 19581843

IUPAC1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(C(F)(F)F)n[nH]c2C)c(C)n1
InChIInChI=1S/C11H14F3N5O2S/c1-4-19-5-8(6(2)17-19)22(20,21)18-9-7(3)15-16-10(9)11(12,13)14/h5,18H,4H2,1-3H3,(H,15,16)
InChIKeyFJFYVKDBLZTDJR-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.06
Rot. Bonds4

About 1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide

1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide (PubChem CID 19581843) has the molecular formula C11H14F3N5O2S and a molecular weight of 337.33 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide
PubChem CID19581843
Molecular FormulaC11H14F3N5O2S
Molecular Weight337.33 g/mol
Exact Mass337.08
IUPAC Name1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(C(F)(F)F)n[nH]c2C)c(C)n1
InChIInChI=1S/C11H14F3N5O2S/c1-4-19-5-8(6(2)17-19)22(20,21)18-9-7(3)15-16-10(9)11(12,13)14/h5,18H,4H2,1-3H3,(H,15,16)
InChIKeyFJFYVKDBLZTDJR-UHFFFAOYSA-N
XLogP2.06
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide (CID 19581843) is 1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2c(C(F)(F)F)n[nH]c2C)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide?
The InChIKey is FJFYVKDBLZTDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O2S/c1-4-19-5-8(6(2)17-19)22(20,21)18-9-7(3)15-16-10(9)11(12,13)14/h5,18H,4H2,1-3H3,(H,15,16).
What are the key properties of 1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide has a molecular weight of 337.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19581843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).