N-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide

C11H16FN5O2S — CID 91969597

IUPACN-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cc(C)n(C)n2)c1F
InChIInChI=1S/C11H16FN5O2S/c1-5-17-11(12)10(8(3)13-17)20(18,19)15-9-6-7(2)16(4)14-9/h6H,5H2,1-4H3,(H,14,15)
InChIKeySMBKBXJSIAWGRB-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.19
Rot. Bonds4

About N-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide

N-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide (PubChem CID 91969597) has the molecular formula C11H16FN5O2S and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide
PubChem CID91969597
Molecular FormulaC11H16FN5O2S
Molecular Weight301.35 g/mol
Exact Mass301.10
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cc(C)n(C)n2)c1F
InChIInChI=1S/C11H16FN5O2S/c1-5-17-11(12)10(8(3)13-17)20(18,19)15-9-6-7(2)16(4)14-9/h6H,5H2,1-4H3,(H,14,15)
InChIKeySMBKBXJSIAWGRB-UHFFFAOYSA-N
XLogP1.19
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide (CID 91969597) is N-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2cc(C)n(C)n2)c1F.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide?
The InChIKey is SMBKBXJSIAWGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O2S/c1-5-17-11(12)10(8(3)13-17)20(18,19)15-9-6-7(2)16(4)14-9/h6H,5H2,1-4H3,(H,14,15).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide?
N-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide has a molecular weight of 301.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-1-ethyl-5-fluoro-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 91969597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).