2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine

C11H15N3O — CID 43121456

IUPAC2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine
SMILESCc1cc(C(C)n2nccc2N)c(C)o1
InChIInChI=1S/C11H15N3O/c1-7-6-10(9(3)15-7)8(2)14-11(12)4-5-13-14/h4-6,8H,12H2,1-3H3
InChIKeyCCTBQTWFRJZGDD-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.28
Rot. Bonds2

About 2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine

2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine (PubChem CID 43121456) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine
PubChem CID43121456
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine
SMILESCc1cc(C(C)n2nccc2N)c(C)o1
InChIInChI=1S/C11H15N3O/c1-7-6-10(9(3)15-7)8(2)14-11(12)4-5-13-14/h4-6,8H,12H2,1-3H3
InChIKeyCCTBQTWFRJZGDD-UHFFFAOYSA-N
XLogP2.28
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine?
The IUPAC name of 2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine (CID 43121456) is 2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine?
The canonical SMILES for 2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine is Cc1cc(C(C)n2nccc2N)c(C)o1.
What is the InChIKey of 2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine?
The InChIKey is CCTBQTWFRJZGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-6-10(9(3)15-7)8(2)14-11(12)4-5-13-14/h4-6,8H,12H2,1-3H3.
What are the key properties of 2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine?
2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine has a molecular weight of 205.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 43121456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).