2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

C11H18N4O2 — CID 55036059

IUPAC2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESNc1ccn(CC(=O)N2CCC(CO)CC2)n1
InChIInChI=1S/C11H18N4O2/c12-10-3-6-15(13-10)7-11(17)14-4-1-9(8-16)2-5-14/h3,6,9,16H,1-2,4-5,7-8H2,(H2,12,13)
InChIKeyFFSTWSGUQXITBQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.30
Rot. Bonds3

About 2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 55036059) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID55036059
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESNc1ccn(CC(=O)N2CCC(CO)CC2)n1
InChIInChI=1S/C11H18N4O2/c12-10-3-6-15(13-10)7-11(17)14-4-1-9(8-16)2-5-14/h3,6,9,16H,1-2,4-5,7-8H2,(H2,12,13)
InChIKeyFFSTWSGUQXITBQ-UHFFFAOYSA-N
XLogP-0.30
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 55036059) is 2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone is Nc1ccn(CC(=O)N2CCC(CO)CC2)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is FFSTWSGUQXITBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-10-3-6-15(13-10)7-11(17)14-4-1-9(8-16)2-5-14/h3,6,9,16H,1-2,4-5,7-8H2,(H2,12,13).
What are the key properties of 2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 238.29 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 55036059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).