2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide

C13H22N4O2 — CID 55086647

IUPAC2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
SMILESCC1CCC(CO)(NC(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C13H22N4O2/c1-10-2-5-13(9-18,6-3-10)15-12(19)8-17-7-4-11(14)16-17/h4,7,10,18H,2-3,5-6,8-9H2,1H3,(H2,14,16)(H,15,19)
InChIKeyBJHWVTJHQMINAW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.52
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide

2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide (PubChem CID 55086647) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
PubChem CID55086647
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
SMILESCC1CCC(CO)(NC(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C13H22N4O2/c1-10-2-5-13(9-18,6-3-10)15-12(19)8-17-7-4-11(14)16-17/h4,7,10,18H,2-3,5-6,8-9H2,1H3,(H2,14,16)(H,15,19)
InChIKeyBJHWVTJHQMINAW-UHFFFAOYSA-N
XLogP0.52
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-1-[(2-pyrazol-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 43341373
2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 55086598
2-(3-aminopyrazol-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 55174278
4-Methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61204334
2-(3-Aminopyrazol-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62100725
2-(3-aminopyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 62101545
2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 62101724
2-(3-Aminopyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62102044
2-(3-aminopyrazol-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 62111715
2-(3-aminopyrazol-1-yl)-N-(1-methylcyclohexyl)acetamide
CID 62111911
2-(3-aminopyrazol-1-yl)-N-(4-ethylcyclohexyl)acetamide
CID 62112077
2-(3-aminopyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 62112750

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide (CID 55086647) is 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide is CC1CCC(CO)(NC(=O)Cn2ccc(N)n2)CC1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
The InChIKey is BJHWVTJHQMINAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-2-5-13(9-18,6-3-10)15-12(19)8-17-7-4-11(14)16-17/h4,7,10,18H,2-3,5-6,8-9H2,1H3,(H2,14,16)(H,15,19).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.52, 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)-4-methylcyclohexyl]acetamide is sourced from PubChem (CID 55086647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).