trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine

C14H25N3O3 — CID 167789498

IUPACtrans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
SMILESCOc1cn(C)nc1C(C)NC1C[C@@H](OC)[C@H](OC)C1
InChIInChI=1S/C14H25N3O3/c1-9(14-13(20-5)8-17(2)16-14)15-10-6-11(18-3)12(7-10)19-4/h8-12,15H,6-7H2,1-5H3/t9?,11-,12-/m1/s1
InChIKeyVQHFPUCQHLGOAV-JZXPMDSESA-N
MW283.37 g/mol
LogP1.27
Rot. Bonds6

About trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine

trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine (PubChem CID 167789498) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
PubChem CID167789498
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametrans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
SMILESCOc1cn(C)nc1C(C)NC1C[C@@H](OC)[C@H](OC)C1
InChIInChI=1S/C14H25N3O3/c1-9(14-13(20-5)8-17(2)16-14)15-10-6-11(18-3)12(7-10)19-4/h8-12,15H,6-7H2,1-5H3/t9?,11-,12-/m1/s1
InChIKeyVQHFPUCQHLGOAV-JZXPMDSESA-N
XLogP1.27
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine (CID 167789498) is trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine is COc1cn(C)nc1C(C)NC1C[C@@H](OC)[C@H](OC)C1.
What is the InChIKey of trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine?
The InChIKey is VQHFPUCQHLGOAV-JZXPMDSESA-N. The full InChI is InChI=1S/C14H25N3O3/c1-9(14-13(20-5)8-17(2)16-14)15-10-6-11(18-3)12(7-10)19-4/h8-12,15H,6-7H2,1-5H3/t9?,11-,12-/m1/s1.
What are the key properties of trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine?
trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 167789498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).