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

C14H12FN5O — CID 68642419

IUPAC1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ncco2)n(Cc2ccccc2F)n1
InChIInChI=1S/C14H12FN5O/c15-10-4-2-1-3-9(10)8-20-12(14-18-5-6-21-14)7-11(19-20)13(16)17/h1-7H,8H2,(H3,16,17)
InChIKeyQLLICCNVTQNNGB-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.01
Rot. Bonds4

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

1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazole-3-carboximidamide (PubChem CID 68642419) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazole-3-carboximidamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazole-3-carboximidamide
PubChem CID68642419
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ncco2)n(Cc2ccccc2F)n1
InChIInChI=1S/C14H12FN5O/c15-10-4-2-1-3-9(10)8-20-12(14-18-5-6-21-14)7-11(19-20)13(16)17/h1-7H,8H2,(H3,16,17)
InChIKeyQLLICCNVTQNNGB-UHFFFAOYSA-N
XLogP2.01
TPSA93.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1,3-oxazol-2-yl)pyrazole-3-carboximidamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazole-3-carboximidamide (CID 68642419) is 1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazole-3-carboximidamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazole-3-carboximidamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazole-3-carboximidamide is [H]/N=C(\N)c1cc(-c2ncco2)n(Cc2ccccc2F)n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazole-3-carboximidamide?
The InChIKey is QLLICCNVTQNNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c15-10-4-2-1-3-9(10)8-20-12(14-18-5-6-21-14)7-11(19-20)13(16)17/h1-7H,8H2,(H3,16,17).
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazole-3-carboximidamide?
1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazole-3-carboximidamide has a molecular weight of 285.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazole-3-carboximidamide is sourced from PubChem (CID 68642419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).