5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide

C18H17FN4O2 — CID 90154051

IUPAC5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide
SMILES[H]/N=C(\N)n1[nH]c(-c2ccc(F)cc2)c(Cc2cccc(OC)c2)c1=O
InChIInChI=1S/C18H17FN4O2/c1-25-14-4-2-3-11(9-14)10-15-16(12-5-7-13(19)8-6-12)22-23(17(15)24)18(20)21/h2-9,22H,10H2,1H3,(H3,20,21)
InChIKeyWOGQOXXUVNYMIY-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.32
Rot. Bonds4

About 5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide

5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide (PubChem CID 90154051) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide
PubChem CID90154051
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide
SMILES[H]/N=C(\N)n1[nH]c(-c2ccc(F)cc2)c(Cc2cccc(OC)c2)c1=O
InChIInChI=1S/C18H17FN4O2/c1-25-14-4-2-3-11(9-14)10-15-16(12-5-7-13(19)8-6-12)22-23(17(15)24)18(20)21/h2-9,22H,10H2,1H3,(H3,20,21)
InChIKeyWOGQOXXUVNYMIY-UHFFFAOYSA-N
XLogP2.32
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.32
H-Bond Donors ≤ 53
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 5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide?
The IUPAC name of 5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide (CID 90154051) is 5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide?
The canonical SMILES for 5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide is [H]/N=C(\N)n1[nH]c(-c2ccc(F)cc2)c(Cc2cccc(OC)c2)c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide?
The InChIKey is WOGQOXXUVNYMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-25-14-4-2-3-11(9-14)10-15-16(12-5-7-13(19)8-6-12)22-23(17(15)24)18(20)21/h2-9,22H,10H2,1H3,(H3,20,21).
What are the key properties of 5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide?
5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide has a molecular weight of 340.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3-oxo-1H-pyrazole-2-carboximidamide is sourced from PubChem (CID 90154051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).