N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine

C11H15N3O — CID 62522793

IUPACN-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
SMILESCc1ccc(CNC(C)c2ccn[nH]2)o1
InChIInChI=1S/C11H15N3O/c1-8-3-4-10(15-8)7-12-9(2)11-5-6-13-14-11/h3-6,9,12H,7H2,1-2H3,(H,13,14)
InChIKeyVABHTXLEKQQFEJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.16
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine

N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine (PubChem CID 62522793) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
PubChem CID62522793
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
SMILESCc1ccc(CNC(C)c2ccn[nH]2)o1
InChIInChI=1S/C11H15N3O/c1-8-3-4-10(15-8)7-12-9(2)11-5-6-13-14-11/h3-6,9,12H,7H2,1-2H3,(H,13,14)
InChIKeyVABHTXLEKQQFEJ-UHFFFAOYSA-N
XLogP2.16
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine (CID 62522793) is N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine is Cc1ccc(CNC(C)c2ccn[nH]2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine?
The InChIKey is VABHTXLEKQQFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-3-4-10(15-8)7-12-9(2)11-5-6-13-14-11/h3-6,9,12H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine?
N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine has a molecular weight of 205.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 62522793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).