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

C12H20N4O — CID 62101724

IUPAC2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C12H20N4O/c1-9-2-4-10(5-3-9)14-12(17)8-16-7-6-11(13)15-16/h6-7,9-10H,2-5,8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyXJMYOHGHYTZMIL-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.16
Rot. Bonds3

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

2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide (PubChem CID 62101724) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide
PubChem CID62101724
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C12H20N4O/c1-9-2-4-10(5-3-9)14-12(17)8-16-7-6-11(13)15-16/h6-7,9-10H,2-5,8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyXJMYOHGHYTZMIL-UHFFFAOYSA-N
XLogP1.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide (CID 62101724) is 2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)Cn2ccc(N)n2)CC1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is XJMYOHGHYTZMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-2-4-10(5-3-9)14-12(17)8-16-7-6-11(13)15-16/h6-7,9-10H,2-5,8H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 236.32 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 62101724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).