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

C12H20N4O — CID 62111911

IUPAC2-(3-aminopyrazol-1-yl)-N-(1-methylcyclohexyl)acetamide
SMILESCC1(NC(=O)Cn2ccc(N)n2)CCCCC1
InChIInChI=1S/C12H20N4O/c1-12(6-3-2-4-7-12)14-11(17)9-16-8-5-10(13)15-16/h5,8H,2-4,6-7,9H2,1H3,(H2,13,15)(H,14,17)
InChIKeyLBFVLIKMTLDZBK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.30
Rot. Bonds3

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

2-(3-aminopyrazol-1-yl)-N-(1-methylcyclohexyl)acetamide (PubChem CID 62111911) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(1-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(1-methylcyclohexyl)acetamide
PubChem CID62111911
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(1-methylcyclohexyl)acetamide
SMILESCC1(NC(=O)Cn2ccc(N)n2)CCCCC1
InChIInChI=1S/C12H20N4O/c1-12(6-3-2-4-7-12)14-11(17)9-16-8-5-10(13)15-16/h5,8H,2-4,6-7,9H2,1H3,(H2,13,15)(H,14,17)
InChIKeyLBFVLIKMTLDZBK-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
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-(1-methylcyclohexyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(1-methylcyclohexyl)acetamide (CID 62111911) is 2-(3-aminopyrazol-1-yl)-N-(1-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(1-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(1-methylcyclohexyl)acetamide is CC1(NC(=O)Cn2ccc(N)n2)CCCCC1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(1-methylcyclohexyl)acetamide?
The InChIKey is LBFVLIKMTLDZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(6-3-2-4-7-12)14-11(17)9-16-8-5-10(13)15-16/h5,8H,2-4,6-7,9H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(1-methylcyclohexyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(1-methylcyclohexyl)acetamide has a molecular weight of 236.32 g/mol, XLogP of 1.30, 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-(1-methylcyclohexyl)acetamide is sourced from PubChem (CID 62111911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).