N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide

C₁₂H₂₀N₄O — CID 107174958

About N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide

N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide (PubChem CID 107174958) has the molecular formula C₁₂H₂₀N₄O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide
• PubChem CID: 107174958
• Molecular Formula: C₁₂H₂₀N₄O
• Molecular Weight: 236.32 g/mol
• Exact Mass: 236.16
• IUPAC Name: N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide
• SMILES: Cc1nn(C)c(NC(=O)C2CCCC2C)c1N
• InChI: InChI=1S/C12H20N4O/c1-7-5-4-6-9(7)12(17)14-11-10(13)8(2)15-16(11)3/h7,9H,4-6,13H2,1-3H3,(H,14,17)
• InChIKey: BWJMLULIJPTMJO-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 72.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.32
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide?

The IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide (CID 107174958) is N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide.

What is the SMILES notation for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide?

The canonical SMILES for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide is Cc1nn(C)c(NC(=O)C2CCCC2C)c1N.

What is the InChIKey of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide?

The InChIKey is BWJMLULIJPTMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7-5-4-6-9(7)12(17)14-11-10(13)8(2)15-16(11)3/h7,9H,4-6,13H2,1-3H3,(H,14,17).

What are the key properties of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide?

N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107174958 — identifiers, structure, computed properties (public domain)

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