9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one

C15H25N3O4S — CID 167796603

IUPAC9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(=O)CCCCC(O)C1
InChIInChI=1S/C15H25N3O4S/c1-11-15(12(2)17(3)16-11)23(21,22)18-9-8-13(19)6-4-5-7-14(20)10-18/h14,20H,4-10H2,1-3H3
InChIKeyLHJVFTXTVLMCSI-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.92
Rot. Bonds2

About 9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one

9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one (PubChem CID 167796603) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one.

Molecular Properties

Compound Name9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one
PubChem CID167796603
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(=O)CCCCC(O)C1
InChIInChI=1S/C15H25N3O4S/c1-11-15(12(2)17(3)16-11)23(21,22)18-9-8-13(19)6-4-5-7-14(20)10-18/h14,20H,4-10H2,1-3H3
InChIKeyLHJVFTXTVLMCSI-UHFFFAOYSA-N
XLogP0.92
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 66291193
2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121184119
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79001470
N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 62061935
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 113282433
1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine
CID 62061770
4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 90586561
N-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977934
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine
CID 91812382
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol
CID 3867017
(3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 125419860
1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide
CID 55030816

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one?
The IUPAC name of 9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one (CID 167796603) is 9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one.
What is the SMILES notation for 9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one?
The canonical SMILES for 9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(=O)CCCCC(O)C1.
What is the InChIKey of 9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one?
The InChIKey is LHJVFTXTVLMCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-11-15(12(2)17(3)16-11)23(21,22)18-9-8-13(19)6-4-5-7-14(20)10-18/h14,20H,4-10H2,1-3H3.
What are the key properties of 9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one?
9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one has a molecular weight of 343.45 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one is sourced from PubChem (CID 167796603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).