N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide

C18H29N3O2S — CID 22201508

IUPACN-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnn(C)c1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N3O2S/c1-4-17(20-24(22,23)16-11-19-21(3)12(16)2)18-8-13-5-14(9-18)7-15(6-13)10-18/h11,13-15,17,20H,4-10H2,1-3H3
InChIKeyFEQUVJAUDVBJEV-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.00
Rot. Bonds5

About N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide

N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 22201508) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID22201508
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnn(C)c1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N3O2S/c1-4-17(20-24(22,23)16-11-19-21(3)12(16)2)18-8-13-5-14(9-18)7-15(6-13)10-18/h11,13-15,17,20H,4-10H2,1-3H3
InChIKeyFEQUVJAUDVBJEV-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantylmethyl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 19582971
1-(2-Adamantyl)-4-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-YL]sulfonyl}piperazine
CID 19614546
N-[(4,4-difluorocyclohexyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 126799788
N~4~-(2-Adamantyl)-1-ethyl-3-methyl-1H-pyrazole-4-sulfonamide
CID 4775620
Adamantan-2-yl[(1,3-dimethylpyrazol-4-yl)sulfonyl]amine
CID 17022485
N-(1-adamantylmethyl)-1-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 17022503
N~4~-(1-Adamantylmethyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 17022525
N-(1-adamantylmethyl)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 17024920
4-[(4-Adamantanylpiperazinyl)sulfonyl]-1-ethyl-5-methylpyrazole
CID 17349360
4-[(4-Adamantanylpiperazinyl)sulfonyl]-1,3-dimethylpyrazole
CID 17349361
[(1,3-Dimethylpyrazol-4-yl)sulfonyl](4-methylcyclohexyl)amine
CID 17377844
N~4~-[1-(1-Adamantyl)propyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 19581845

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide (CID 22201508) is N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide is CCC(NS(=O)(=O)c1cnn(C)c1C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is FEQUVJAUDVBJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-4-17(20-24(22,23)16-11-19-21(3)12(16)2)18-8-13-5-14(9-18)7-15(6-13)10-18/h11,13-15,17,20H,4-10H2,1-3H3.
What are the key properties of N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide?
N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 351.52 g/mol, XLogP of 3.00, 5 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]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22201508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).