[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol

C10H16ClN3O3S — CID 114150451

IUPAC[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H16ClN3O3S/c1-13-10(9(11)5-12-13)18(16,17)14-4-2-3-8(6-14)7-15/h5,8,15H,2-4,6-7H2,1H3
InChIKeyNHCYOFVCBNNUIN-UHFFFAOYSA-N
MW293.78 g/mol
LogP0.47
Rot. Bonds3

About [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol

[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol (PubChem CID 114150451) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol
PubChem CID114150451
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H16ClN3O3S/c1-13-10(9(11)5-12-13)18(16,17)14-4-2-3-8(6-14)7-15/h5,8,15H,2-4,6-7H2,1H3
InChIKeyNHCYOFVCBNNUIN-UHFFFAOYSA-N
XLogP0.47
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine
CID 106315908
2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol
CID 114150469
3-bromo-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine
CID 106316012
4-chloro-5-[3-(2-chloroethyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 114172618
ethyl (3R)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine-3-carboxylate
CID 106150775
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol
CID 114150476
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine
CID 106150550
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine
CID 155950524
[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 43590367
[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 114172496
5-[2-(bromomethyl)pyrrolidin-1-yl]sulfonyl-4-chloro-1-methylpyrazole
CID 106315994
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 106315252

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol (CID 114150451) is [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol is Cn1ncc(Cl)c1S(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is NHCYOFVCBNNUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-13-10(9(11)5-12-13)18(16,17)14-4-2-3-8(6-14)7-15/h5,8,15H,2-4,6-7H2,1H3.
What are the key properties of [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol?
[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 293.78 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 114150451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).