N-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine

C16H25N5 — CID 46980445

IUPACN-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
SMILESCc1nn(C)cc1-c1cncn1CCN(C)C1CCCC1
InChIInChI=1S/C16H25N5/c1-13-15(11-20(3)18-13)16-10-17-12-21(16)9-8-19(2)14-6-4-5-7-14/h10-12,14H,4-9H2,1-3H3
InChIKeyARMYAOQCLYBIMZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.47
Rot. Bonds5

About N-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine

N-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine (PubChem CID 46980445) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
PubChem CID46980445
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
SMILESCc1nn(C)cc1-c1cncn1CCN(C)C1CCCC1
InChIInChI=1S/C16H25N5/c1-13-15(11-20(3)18-13)16-10-17-12-21(16)9-8-19(2)14-6-4-5-7-14/h10-12,14H,4-9H2,1-3H3
InChIKeyARMYAOQCLYBIMZ-UHFFFAOYSA-N
XLogP2.47
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
The IUPAC name of N-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine (CID 46980445) is N-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine is Cc1nn(C)cc1-c1cncn1CCN(C)C1CCCC1.
What is the InChIKey of N-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
The InChIKey is ARMYAOQCLYBIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-13-15(11-20(3)18-13)16-10-17-12-21(16)9-8-19(2)14-6-4-5-7-14/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
N-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine has a molecular weight of 287.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine is sourced from PubChem (CID 46980445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).