N-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine

C9H10IN3O — CID 61283329

IUPACN-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESIc1ccc(CNCc2ccn[nH]2)o1
InChIInChI=1S/C9H10IN3O/c10-9-2-1-8(14-9)6-11-5-7-3-4-12-13-7/h1-4,11H,5-6H2,(H,12,13)
InChIKeyVASLUSIYOHPGAJ-UHFFFAOYSA-N
MW303.10 g/mol
LogP1.90
Rot. Bonds4

About N-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine

N-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 61283329) has the molecular formula C9H10IN3O and a molecular weight of 303.10 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
PubChem CID61283329
Molecular FormulaC9H10IN3O
Molecular Weight303.10 g/mol
Exact Mass302.99
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESIc1ccc(CNCc2ccn[nH]2)o1
InChIInChI=1S/C9H10IN3O/c10-9-2-1-8(14-9)6-11-5-7-3-4-12-13-7/h1-4,11H,5-6H2,(H,12,13)
InChIKeyVASLUSIYOHPGAJ-UHFFFAOYSA-N
XLogP1.90
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine (CID 61283329) is N-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine is Ic1ccc(CNCc2ccn[nH]2)o1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is VASLUSIYOHPGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3O/c10-9-2-1-8(14-9)6-11-5-7-3-4-12-13-7/h1-4,11H,5-6H2,(H,12,13).
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
N-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine has a molecular weight of 303.10 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodofuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 61283329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).