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

C12H20N4O2 — CID 62102044

IUPAC2-(3-aminopyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESNc1ccn(CC(=O)N2CCCCC2CCO)n1
InChIInChI=1S/C12H20N4O2/c13-11-4-7-15(14-11)9-12(18)16-6-2-1-3-10(16)5-8-17/h4,7,10,17H,1-3,5-6,8-9H2,(H2,13,14)
InChIKeyDDGCCYCHDTUGBU-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.23
Rot. Bonds4

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

2-(3-aminopyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 62102044) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID62102044
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(3-aminopyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESNc1ccn(CC(=O)N2CCCCC2CCO)n1
InChIInChI=1S/C12H20N4O2/c13-11-4-7-15(14-11)9-12(18)16-6-2-1-3-10(16)5-8-17/h4,7,10,17H,1-3,5-6,8-9H2,(H2,13,14)
InChIKeyDDGCCYCHDTUGBU-UHFFFAOYSA-N
XLogP0.23
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.23
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-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone (CID 62102044) is 2-(3-aminopyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone is Nc1ccn(CC(=O)N2CCCCC2CCO)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is DDGCCYCHDTUGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-11-4-7-15(14-11)9-12(18)16-6-2-1-3-10(16)5-8-17/h4,7,10,17H,1-3,5-6,8-9H2,(H2,13,14).
What are the key properties of 2-(3-aminopyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
2-(3-aminopyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 252.32 g/mol, XLogP of 0.23, 4 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-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 62102044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).