[5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone

C10H11N3O2 — CID 116589973

IUPAC[5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)c2ccc(CN)o2)cn1
InChIInChI=1S/C10H11N3O2/c1-13-6-7(5-12-13)10(14)9-3-2-8(4-11)15-9/h2-3,5-6H,4,11H2,1H3
InChIKeyLHZFTYBUZXXBEB-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.70
Rot. Bonds3

About [5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone

[5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 116589973) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID116589973
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name[5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)c2ccc(CN)o2)cn1
InChIInChI=1S/C10H11N3O2/c1-13-6-7(5-12-13)10(14)9-3-2-8(4-11)15-9/h2-3,5-6H,4,11H2,1H3
InChIKeyLHZFTYBUZXXBEB-UHFFFAOYSA-N
XLogP0.70
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone (CID 116589973) is [5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)c2ccc(CN)o2)cn1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is LHZFTYBUZXXBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13-6-7(5-12-13)10(14)9-3-2-8(4-11)15-9/h2-3,5-6H,4,11H2,1H3.
What are the key properties of [5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone?
[5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 205.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 116589973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).