5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine

C11H16N4O — CID 43554339

IUPAC5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NC(C)c2ccco2)c1N
InChIInChI=1S/C11H16N4O/c1-7(9-5-4-6-16-9)13-11-10(12)8(2)14-15(11)3/h4-7,13H,12H2,1-3H3
InChIKeyUUOMRGJSYZEJPM-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.08
Rot. Bonds3

About 5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine

5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 43554339) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
PubChem CID43554339
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NC(C)c2ccco2)c1N
InChIInChI=1S/C11H16N4O/c1-7(9-5-4-6-16-9)13-11-10(12)8(2)14-15(11)3/h4-7,13H,12H2,1-3H3
InChIKeyUUOMRGJSYZEJPM-UHFFFAOYSA-N
XLogP2.08
TPSA69.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine (CID 43554339) is 5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine is Cc1nn(C)c(NC(C)c2ccco2)c1N.
What is the InChIKey of 5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is UUOMRGJSYZEJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7(9-5-4-6-16-9)13-11-10(12)8(2)14-15(11)3/h4-7,13H,12H2,1-3H3.
What are the key properties of 5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine?
5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 220.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 43554339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).