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

C13H22N4O — CID 62114088

IUPAC2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide
SMILESCC1CCCC(N(C)C(=O)Cn2ccc(N)n2)C1
InChIInChI=1S/C13H22N4O/c1-10-4-3-5-11(8-10)16(2)13(18)9-17-7-6-12(14)15-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,14,15)
InChIKeyNNJJVXHAKNWYEW-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.50
Rot. Bonds3

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

2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide (PubChem CID 62114088) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide
PubChem CID62114088
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide
SMILESCC1CCCC(N(C)C(=O)Cn2ccc(N)n2)C1
InChIInChI=1S/C13H22N4O/c1-10-4-3-5-11(8-10)16(2)13(18)9-17-7-6-12(14)15-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,14,15)
InChIKeyNNJJVXHAKNWYEW-UHFFFAOYSA-N
XLogP1.50
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide (CID 62114088) is 2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide is CC1CCCC(N(C)C(=O)Cn2ccc(N)n2)C1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide?
The InChIKey is NNJJVXHAKNWYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-4-3-5-11(8-10)16(2)13(18)9-17-7-6-12(14)15-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,14,15).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide is sourced from PubChem (CID 62114088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).