3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide

C14H12FN5O — CID 118962321

IUPAC3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1cc(-c2ccon2)c(Cc2ccccc2F)n1
InChIInChI=1S/C14H12FN5O/c15-11-4-2-1-3-9(11)7-13-10(12-5-6-21-19-12)8-20(18-13)14(16)17/h1-6,8H,7H2,(H3,16,17)
InChIKeyUCSKZMGIEISIOL-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.01
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide

3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide (PubChem CID 118962321) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide
PubChem CID118962321
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1cc(-c2ccon2)c(Cc2ccccc2F)n1
InChIInChI=1S/C14H12FN5O/c15-11-4-2-1-3-9(11)7-13-10(12-5-6-21-19-12)8-20(18-13)14(16)17/h1-6,8H,7H2,(H3,16,17)
InChIKeyUCSKZMGIEISIOL-UHFFFAOYSA-N
XLogP2.01
TPSA93.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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 3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide (CID 118962321) is 3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide is [H]/N=C(\N)n1cc(-c2ccon2)c(Cc2ccccc2F)n1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide?
The InChIKey is UCSKZMGIEISIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c15-11-4-2-1-3-9(11)7-13-10(12-5-6-21-19-12)8-20(18-13)14(16)17/h1-6,8H,7H2,(H3,16,17).
What are the key properties of 3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide?
3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide has a molecular weight of 285.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide is sourced from PubChem (CID 118962321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).