N-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide

C19H31N3O2S — CID 19581884

IUPACN-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnn(CC)c1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31N3O2S/c1-4-18(19-9-14-6-15(10-19)8-16(7-14)11-19)21-25(23,24)17-12-20-22(5-2)13(17)3/h12,14-16,18,21H,4-11H2,1-3H3
InChIKeyCMJISPMJUCJLBS-UHFFFAOYSA-N
MW365.54 g/mol
LogP3.48
Rot. Bonds6

About N-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide

N-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide (PubChem CID 19581884) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
PubChem CID19581884
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC NameN-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnn(CC)c1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31N3O2S/c1-4-18(19-9-14-6-15(10-19)8-16(7-14)11-19)21-25(23,24)17-12-20-22(5-2)13(17)3/h12,14-16,18,21H,4-11H2,1-3H3
InChIKeyCMJISPMJUCJLBS-UHFFFAOYSA-N
XLogP3.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide (CID 19581884) is N-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide is CCC(NS(=O)(=O)c1cnn(CC)c1C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The InChIKey is CMJISPMJUCJLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-4-18(19-9-14-6-15(10-19)8-16(7-14)11-19)21-25(23,24)17-12-20-22(5-2)13(17)3/h12,14-16,18,21H,4-11H2,1-3H3.
What are the key properties of N-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
N-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide has a molecular weight of 365.54 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19581884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).