3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine

C14H26N4O — CID 114664710

IUPAC3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCOc1cnn(CCN(C)C)c1C1CCC(N)C1C
InChIInChI=1S/C14H26N4O/c1-10-11(5-6-12(10)15)14-13(19-4)9-16-18(14)8-7-17(2)3/h9-12H,5-8,15H2,1-4H3
InChIKeyIXZUFYGCBUVELT-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.29
Rot. Bonds5

About 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine

3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine (PubChem CID 114664710) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine
PubChem CID114664710
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCOc1cnn(CCN(C)C)c1C1CCC(N)C1C
InChIInChI=1S/C14H26N4O/c1-10-11(5-6-12(10)15)14-13(19-4)9-16-18(14)8-7-17(2)3/h9-12H,5-8,15H2,1-4H3
InChIKeyIXZUFYGCBUVELT-UHFFFAOYSA-N
XLogP1.29
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine?
The IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine (CID 114664710) is 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine is COc1cnn(CCN(C)C)c1C1CCC(N)C1C.
What is the InChIKey of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine?
The InChIKey is IXZUFYGCBUVELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10-11(5-6-12(10)15)14-13(19-4)9-16-18(14)8-7-17(2)3/h9-12H,5-8,15H2,1-4H3.
What are the key properties of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine?
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 114664710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).