[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol

C12H21N3O4S — CID 106589910

IUPAC[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol
SMILESCOCC1CCCN(S(=O)(=O)c2c(CO)n[nH]c2C)C1
InChIInChI=1S/C12H21N3O4S/c1-9-12(11(7-16)14-13-9)20(17,18)15-5-3-4-10(6-15)8-19-2/h10,16H,3-8H2,1-2H3,(H,13,14)
InChIKeyPQQWTNKMOCHEOK-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.26
Rot. Bonds5

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

[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol (PubChem CID 106589910) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol
PubChem CID106589910
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol
SMILESCOCC1CCCN(S(=O)(=O)c2c(CO)n[nH]c2C)C1
InChIInChI=1S/C12H21N3O4S/c1-9-12(11(7-16)14-13-9)20(17,18)15-5-3-4-10(6-15)8-19-2/h10,16H,3-8H2,1-2H3,(H,13,14)
InChIKeyPQQWTNKMOCHEOK-UHFFFAOYSA-N
XLogP0.26
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride
CID 119998465
3-(2-bromoethyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 80674526
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol
CID 106589877
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119998450
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 115901977
3-(chloromethyl)-4-(3-methoxypyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazole
CID 103541223
[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-5-methyl-1H-pyrazol-3-yl]methanol
CID 114413872
methyl (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 115536279
3,5-dichloro-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106585755
[5-methyl-4-(2-propylpiperidin-1-yl)sulfonyl-1H-pyrazol-3-yl]methanol
CID 83057456
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 106590018

Frequently Asked Questions

What is the IUPAC name of [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol?
The IUPAC name of [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol (CID 106589910) is [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol.
What is the SMILES notation for [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol?
The canonical SMILES for [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol is COCC1CCCN(S(=O)(=O)c2c(CO)n[nH]c2C)C1.
What is the InChIKey of [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol?
The InChIKey is PQQWTNKMOCHEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-9-12(11(7-16)14-13-9)20(17,18)15-5-3-4-10(6-15)8-19-2/h10,16H,3-8H2,1-2H3,(H,13,14).
What are the key properties of [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol?
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol has a molecular weight of 303.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol is sourced from PubChem (CID 106589910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).