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

C13H22N4O — CID 55174278

IUPAC2-(3-aminopyrazol-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
SMILESCC1CCC(CNC(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C13H22N4O/c1-10-2-4-11(5-3-10)8-15-13(18)9-17-7-6-12(14)16-17/h6-7,10-11H,2-5,8-9H2,1H3,(H2,14,16)(H,15,18)
InChIKeyAJEGOQXIDIFZMK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.41
Rot. Bonds4

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

2-(3-aminopyrazol-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide (PubChem CID 55174278) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
PubChem CID55174278
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
SMILESCC1CCC(CNC(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C13H22N4O/c1-10-2-4-11(5-3-10)8-15-13(18)9-17-7-6-12(14)16-17/h6-7,10-11H,2-5,8-9H2,1H3,(H2,14,16)(H,15,18)
InChIKeyAJEGOQXIDIFZMK-UHFFFAOYSA-N
XLogP1.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.41
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)methyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide (CID 55174278) is 2-(3-aminopyrazol-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide is CC1CCC(CNC(=O)Cn2ccc(N)n2)CC1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide?
The InChIKey is AJEGOQXIDIFZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-2-4-11(5-3-10)8-15-13(18)9-17-7-6-12(14)16-17/h6-7,10-11H,2-5,8-9H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.41, 4 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)methyl]acetamide is sourced from PubChem (CID 55174278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).