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

C15H27N5O — CID 62112230

IUPAC2-(3-aminopyrazol-1-yl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
SMILESCC1CCCC(CNC(=O)Cn2ccc(N)n2)(N(C)C)C1
InChIInChI=1S/C15H27N5O/c1-12-5-4-7-15(9-12,19(2)3)11-17-14(21)10-20-8-6-13(16)18-20/h6,8,12H,4-5,7,9-11H2,1-3H3,(H2,16,18)(H,17,21)
InChIKeyUXLZCSUCYQFBHI-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.09
Rot. Bonds5

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

2-(3-aminopyrazol-1-yl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide (PubChem CID 62112230) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
PubChem CID62112230
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
SMILESCC1CCCC(CNC(=O)Cn2ccc(N)n2)(N(C)C)C1
InChIInChI=1S/C15H27N5O/c1-12-5-4-7-15(9-12,19(2)3)11-17-14(21)10-20-8-6-13(16)18-20/h6,8,12H,4-5,7,9-11H2,1-3H3,(H2,16,18)(H,17,21)
InChIKeyUXLZCSUCYQFBHI-UHFFFAOYSA-N
XLogP1.09
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.09
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)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide (CID 62112230) is 2-(3-aminopyrazol-1-yl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide is CC1CCCC(CNC(=O)Cn2ccc(N)n2)(N(C)C)C1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide?
The InChIKey is UXLZCSUCYQFBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-12-5-4-7-15(9-12,19(2)3)11-17-14(21)10-20-8-6-13(16)18-20/h6,8,12H,4-5,7,9-11H2,1-3H3,(H2,16,18)(H,17,21).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.09, 5 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)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide is sourced from PubChem (CID 62112230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).