2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide

C18H17FN4 — CID 3550085

IUPAC2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
SMILESC/N=C(/Nc1cc(C)nn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C18H17FN4/c1-13-12-17(23(22-13)14-8-4-3-5-9-14)21-18(20-2)15-10-6-7-11-16(15)19/h3-12H,1-2H3,(H,20,21)
InChIKeyJMJHNRJKAOXTIO-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.81
Rot. Bonds3

About 2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide

2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide (PubChem CID 3550085) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
PubChem CID3550085
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
SMILESC/N=C(/Nc1cc(C)nn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C18H17FN4/c1-13-12-17(23(22-13)14-8-4-3-5-9-14)21-18(20-2)15-10-6-7-11-16(15)19/h3-12H,1-2H3,(H,20,21)
InChIKeyJMJHNRJKAOXTIO-UHFFFAOYSA-N
XLogP3.81
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide (CID 3550085) is 2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide is C/N=C(/Nc1cc(C)nn1-c1ccccc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The InChIKey is JMJHNRJKAOXTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c1-13-12-17(23(22-13)14-8-4-3-5-9-14)21-18(20-2)15-10-6-7-11-16(15)19/h3-12H,1-2H3,(H,20,21).
What are the key properties of 2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide has a molecular weight of 308.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide is sourced from PubChem (CID 3550085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).