1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide

C15H25N5O2S — CID 19614444

IUPAC1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCC(C)Cn2nccc2C)c1C
InChIInChI=1S/C15H25N5O2S/c1-6-19-14(5)15(13(4)18-19)23(21,22)17-9-11(2)10-20-12(3)7-8-16-20/h7-8,11,17H,6,9-10H2,1-5H3
InChIKeyCAIVWDINTRLHMM-UHFFFAOYSA-N
MW339.47 g/mol
LogP1.64
Rot. Bonds7

About 1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide (PubChem CID 19614444) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
PubChem CID19614444
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCC(C)Cn2nccc2C)c1C
InChIInChI=1S/C15H25N5O2S/c1-6-19-14(5)15(13(4)18-19)23(21,22)17-9-11(2)10-20-12(3)7-8-16-20/h7-8,11,17H,6,9-10H2,1-5H3
InChIKeyCAIVWDINTRLHMM-UHFFFAOYSA-N
XLogP1.64
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide (CID 19614444) is 1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)NCC(C)Cn2nccc2C)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
The InChIKey is CAIVWDINTRLHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-6-19-14(5)15(13(4)18-19)23(21,22)17-9-11(2)10-20-12(3)7-8-16-20/h7-8,11,17H,6,9-10H2,1-5H3.
What are the key properties of 1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide has a molecular weight of 339.47 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19614444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).