1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine

C9H10N4O3 — CID 60999790

IUPAC1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESO=[N+]([O-])c1ccc(CNCc2cn[nH]c2)o1
InChIInChI=1S/C9H10N4O3/c14-13(15)9-2-1-8(16-9)6-10-3-7-4-11-12-5-7/h1-2,4-5,10H,3,6H2,(H,11,12)
InChIKeyHNJLHFQVYLPYCA-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.20
Rot. Bonds5

About 1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine

1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine (PubChem CID 60999790) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
PubChem CID60999790
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESO=[N+]([O-])c1ccc(CNCc2cn[nH]c2)o1
InChIInChI=1S/C9H10N4O3/c14-13(15)9-2-1-8(16-9)6-10-3-7-4-11-12-5-7/h1-2,4-5,10H,3,6H2,(H,11,12)
InChIKeyHNJLHFQVYLPYCA-UHFFFAOYSA-N
XLogP1.20
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol
CID 64592763
N-[(1-methylpyrazol-4-yl)methyl]-1-(5-nitrofuran-2-yl)methanamine
CID 61350028
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(5-nitrofuran-2-yl)methanamine
CID 103275263
N-[(5-nitrofuran-2-yl)methyl]prop-2-en-1-amine
CID 43755376
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
3-(5-methyl-1H-pyrazol-4-yl)-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 62040035
3-[[(5-nitrofuran-2-yl)methylamino]methyl]benzamide
CID 43778796
(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride
CID 132585338
3-methyl-N-[(5-nitrofuran-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904590
1-(5-nitrofuran-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78943449
ethyl 2-[(5-nitrofuran-2-yl)methylamino]acetate
CID 60811614
3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43765268

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine (CID 60999790) is 1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine is O=[N+]([O-])c1ccc(CNCc2cn[nH]c2)o1.
What is the InChIKey of 1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The InChIKey is HNJLHFQVYLPYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c14-13(15)9-2-1-8(16-9)6-10-3-7-4-11-12-5-7/h1-2,4-5,10H,3,6H2,(H,11,12).
What are the key properties of 1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine has a molecular weight of 222.20 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine is sourced from PubChem (CID 60999790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).