3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide

C13H15FN4O — CID 107666557

IUPAC3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCc2cnn(C)c2)c(F)c1
InChIInChI=1S/C13H15FN4O/c1-18-8-9(7-17-18)4-5-19-12-3-2-10(13(15)16)6-11(12)14/h2-3,6-8H,4-5H2,1H3,(H3,15,16)
InChIKeyAHGPRNCNOMSFGP-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.46
Rot. Bonds5

About 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide

3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide (PubChem CID 107666557) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide
PubChem CID107666557
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCc2cnn(C)c2)c(F)c1
InChIInChI=1S/C13H15FN4O/c1-18-8-9(7-17-18)4-5-19-12-3-2-10(13(15)16)6-11(12)14/h2-3,6-8H,4-5H2,1H3,(H3,15,16)
InChIKeyAHGPRNCNOMSFGP-UHFFFAOYSA-N
XLogP1.46
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.46
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'}

Analyze 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336
(1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999976
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
CID 103003957
3-fluoro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide
CID 107666684
5-fluoro-2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999396
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzenecarboximidamide
CID 102740175
3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
CID 107666698
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 82253424
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide (CID 107666557) is 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCc2cnn(C)c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide?
The InChIKey is AHGPRNCNOMSFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-18-8-9(7-17-18)4-5-19-12-3-2-10(13(15)16)6-11(12)14/h2-3,6-8H,4-5H2,1H3,(H3,15,16).
What are the key properties of 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide?
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide has a molecular weight of 262.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 107666557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).