[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol

C13H23N3O3S — CID 83057456

IUPAC[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol
SMILESCCCC1CCCCN1S(=O)(=O)c1c(CO)n[nH]c1C
InChIInChI=1S/C13H23N3O3S/c1-3-6-11-7-4-5-8-16(11)20(18,19)13-10(2)14-15-12(13)9-17/h11,17H,3-9H2,1-2H3,(H,14,15)
InChIKeyJCWMSPCXELRRFG-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.55
Rot. Bonds5

About [5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol

[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol (PubChem CID 83057456) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is [5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol
PubChem CID83057456
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol
SMILESCCCC1CCCCN1S(=O)(=O)c1c(CO)n[nH]c1C
InChIInChI=1S/C13H23N3O3S/c1-3-6-11-7-4-5-8-16(11)20(18,19)13-10(2)14-15-12(13)9-17/h11,17H,3-9H2,1-2H3,(H,14,15)
InChIKeyJCWMSPCXELRRFG-UHFFFAOYSA-N
XLogP1.55
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanamine
CID 83046356
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-one
CID 79541168
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine
CID 63765626
[4-(2-propylpiperidin-1-yl)sulfonylphenyl]methanol
CID 83057310
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119998506
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol
CID 106589910
1-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine
CID 82751223
1-methylsulfonyl-2-propylpyrrolidine
CID 59852648
1-(bromomethylsulfonyl)-2-propylpiperidine
CID 83085891
5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 83053526
[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol
CID 105358382
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-one
CID 79553067

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol?
The IUPAC name of [5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol (CID 83057456) is [5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol.
What is the SMILES notation for [5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol?
The canonical SMILES for [5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol is CCCC1CCCCN1S(=O)(=O)c1c(CO)n[nH]c1C.
What is the InChIKey of [5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol?
The InChIKey is JCWMSPCXELRRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-6-11-7-4-5-8-16(11)20(18,19)13-10(2)14-15-12(13)9-17/h11,17H,3-9H2,1-2H3,(H,14,15).
What are the key properties of [5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol?
[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol has a molecular weight of 301.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol is sourced from PubChem (CID 83057456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).