1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide

C15H13FN4O — CID 118553379

IUPAC1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccoc2)n(Cc2ccccc2F)n1
InChIInChI=1S/C15H13FN4O/c16-12-4-2-1-3-10(12)8-20-14(11-5-6-21-9-11)7-13(19-20)15(17)18/h1-7,9H,8H2,(H3,17,18)
InChIKeyCUILVZJQGFQSCO-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.61
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide

1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide (PubChem CID 118553379) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide
PubChem CID118553379
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccoc2)n(Cc2ccccc2F)n1
InChIInChI=1S/C15H13FN4O/c16-12-4-2-1-3-10(12)8-20-14(11-5-6-21-9-11)7-13(19-20)15(17)18/h1-7,9H,8H2,(H3,17,18)
InChIKeyCUILVZJQGFQSCO-UHFFFAOYSA-N
XLogP2.61
TPSA80.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide (CID 118553379) is 1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide is [H]/N=C(\N)c1cc(-c2ccoc2)n(Cc2ccccc2F)n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide?
The InChIKey is CUILVZJQGFQSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-12-4-2-1-3-10(12)8-20-14(11-5-6-21-9-11)7-13(19-20)15(17)18/h1-7,9H,8H2,(H3,17,18).
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide?
1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide has a molecular weight of 284.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide is sourced from PubChem (CID 118553379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).