1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide

C11H11FN4O — CID 68969871

IUPAC1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cnn(-c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C11H11FN4O/c1-17-10-3-2-8(4-9(10)12)16-6-7(5-15-16)11(13)14/h2-6H,1H3,(H3,13,14)
InChIKeyKEWCBMHLGMYSHM-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.30
Rot. Bonds3

About 1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide

1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide (PubChem CID 68969871) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide
PubChem CID68969871
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cnn(-c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C11H11FN4O/c1-17-10-3-2-8(4-9(10)12)16-6-7(5-15-16)11(13)14/h2-6H,1H3,(H3,13,14)
InChIKeyKEWCBMHLGMYSHM-UHFFFAOYSA-N
XLogP1.30
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.30
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'}

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Related Compounds

1-phenylpyrazole-4-carboximidamide
CID 43140235
3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
CID 82240746
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide
CID 107666557
2-[1-(3-fluoro-4-methoxyphenyl)triazol-4-yl]propan-2-ol
CID 113461307
2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide
CID 126822232
1-(3-fluoro-4-methoxyphenyl)pyrazol-3-amine
CID 102942591
1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole
CID 71098390
3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743283
3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide
CID 107666516
(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 114964376
3-[1-(3-fluoro-4-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 114159959
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide (CID 68969871) is 1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide is [H]/N=C(\N)c1cnn(-c2ccc(OC)c(F)c2)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide?
The InChIKey is KEWCBMHLGMYSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-17-10-3-2-8(4-9(10)12)16-6-7(5-15-16)11(13)14/h2-6H,1H3,(H3,13,14).
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide?
1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide has a molecular weight of 234.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide is sourced from PubChem (CID 68969871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).