[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol

C9H15N3O3S — CID 102691610

IUPAC[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol
SMILESO=S(=O)(c1ccn[nH]1)N1CCC(CO)CC1
InChIInChI=1S/C9H15N3O3S/c13-7-8-2-5-12(6-3-8)16(14,15)9-1-4-10-11-9/h1,4,8,13H,2-3,5-7H2,(H,10,11)
InChIKeyODOXVFVMUXFCRL-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.20
Rot. Bonds3

About [1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol

[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol (PubChem CID 102691610) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is [1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol
PubChem CID102691610
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol
SMILESO=S(=O)(c1ccn[nH]1)N1CCC(CO)CC1
InChIInChI=1S/C9H15N3O3S/c13-7-8-2-5-12(6-3-8)16(14,15)9-1-4-10-11-9/h1,4,8,13H,2-3,5-7H2,(H,10,11)
InChIKeyODOXVFVMUXFCRL-UHFFFAOYSA-N
XLogP-0.20
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol (CID 102691610) is [1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol is O=S(=O)(c1ccn[nH]1)N1CCC(CO)CC1.
What is the InChIKey of [1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol?
The InChIKey is ODOXVFVMUXFCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c13-7-8-2-5-12(6-3-8)16(14,15)9-1-4-10-11-9/h1,4,8,13H,2-3,5-7H2,(H,10,11).
What are the key properties of [1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol?
[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol has a molecular weight of 245.30 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methanol is sourced from PubChem (CID 102691610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).