2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide

C12H20N4O2 — CID 55086598

IUPAC2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
SMILESNc1ccn(CC(=O)NC2(CO)CCCCC2)n1
InChIInChI=1S/C12H20N4O2/c13-10-4-7-16(15-10)8-11(18)14-12(9-17)5-2-1-3-6-12/h4,7,17H,1-3,5-6,8-9H2,(H2,13,15)(H,14,18)
InChIKeyGBBUNJCETILOBT-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.28
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide

2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 55086598) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
PubChem CID55086598
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
SMILESNc1ccn(CC(=O)NC2(CO)CCCCC2)n1
InChIInChI=1S/C12H20N4O2/c13-10-4-7-16(15-10)8-11(18)14-12(9-17)5-2-1-3-6-12/h4,7,17H,1-3,5-6,8-9H2,(H2,13,15)(H,14,18)
InChIKeyGBBUNJCETILOBT-UHFFFAOYSA-N
XLogP0.28
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide (CID 55086598) is 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide is Nc1ccn(CC(=O)NC2(CO)CCCCC2)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is GBBUNJCETILOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-10-4-7-16(15-10)8-11(18)14-12(9-17)5-2-1-3-6-12/h4,7,17H,1-3,5-6,8-9H2,(H2,13,15)(H,14,18).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 55086598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).