1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol

C13H23N3O3S — CID 79559692

IUPAC1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCCCC1CC(C)O
InChIInChI=1S/C13H23N3O3S/c1-10(17)8-12-6-4-3-5-7-16(12)20(18,19)13-9-14-15-11(13)2/h9-10,12,17H,3-8H2,1-2H3,(H,14,15)
InChIKeyDQNUWAYSPBAZFF-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.42
Rot. Bonds4

About 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol

1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol (PubChem CID 79559692) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol
PubChem CID79559692
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCCCC1CC(C)O
InChIInChI=1S/C13H23N3O3S/c1-10(17)8-12-6-4-3-5-7-16(12)20(18,19)13-9-14-15-11(13)2/h9-10,12,17H,3-8H2,1-2H3,(H,14,15)
InChIKeyDQNUWAYSPBAZFF-UHFFFAOYSA-N
XLogP1.42
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol 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

[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]methanamine
CID 116640169
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-one
CID 79553067
N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide
CID 60958528
1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol
CID 79541603
1-(1-methylsulfonylazepan-2-yl)propan-2-ol
CID 79559855
5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
CID 63932853
1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol
CID 79538362
[4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine
CID 80506146
2,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 55039995
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
CID 54929965
4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 54877045
5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 95770643

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol (CID 79559692) is 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol is Cc1[nH]ncc1S(=O)(=O)N1CCCCCC1CC(C)O.
What is the InChIKey of 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol?
The InChIKey is DQNUWAYSPBAZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-10(17)8-12-6-4-3-5-7-16(12)20(18,19)13-9-14-15-11(13)2/h9-10,12,17H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol?
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol has a molecular weight of 301.41 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol is sourced from PubChem (CID 79559692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).