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

C18H29N5 — CID 46980225

IUPACN-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
SMILESCCn1nc(C)c(-c2cncn2CCN(C)C2CCCC2)c1C
InChIInChI=1S/C18H29N5/c1-5-23-15(3)18(14(2)20-23)17-12-19-13-22(17)11-10-21(4)16-8-6-7-9-16/h12-13,16H,5-11H2,1-4H3
InChIKeyVTOBCOWBTQIUAK-UHFFFAOYSA-N
MW315.47 g/mol
LogP3.26
Rot. Bonds6

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

N-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine (PubChem CID 46980225) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is N-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
PubChem CID46980225
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC NameN-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
SMILESCCn1nc(C)c(-c2cncn2CCN(C)C2CCCC2)c1C
InChIInChI=1S/C18H29N5/c1-5-23-15(3)18(14(2)20-23)17-12-19-13-22(17)11-10-21(4)16-8-6-7-9-16/h12-13,16H,5-11H2,1-4H3
InChIKeyVTOBCOWBTQIUAK-UHFFFAOYSA-N
XLogP3.26
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 53.26
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-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
The IUPAC name of N-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine (CID 46980225) is N-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine is CCn1nc(C)c(-c2cncn2CCN(C)C2CCCC2)c1C.
What is the InChIKey of N-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
The InChIKey is VTOBCOWBTQIUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-5-23-15(3)18(14(2)20-23)17-12-19-13-22(17)11-10-21(4)16-8-6-7-9-16/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine?
N-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine has a molecular weight of 315.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine is sourced from PubChem (CID 46980225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).