4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide

C12H13FN4 — CID 43658360

IUPAC4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2nc(C)cc2C)c(F)c1
InChIInChI=1S/C12H13FN4/c1-7-5-8(2)17(16-7)11-4-3-9(12(14)15)6-10(11)13/h3-6H,1-2H3,(H3,14,15)
InChIKeyWDSROZOWDJDJRU-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.91
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide

4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide (PubChem CID 43658360) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
PubChem CID43658360
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2nc(C)cc2C)c(F)c1
InChIInChI=1S/C12H13FN4/c1-7-5-8(2)17(16-7)11-4-3-9(12(14)15)6-10(11)13/h3-6H,1-2H3,(H3,14,15)
InChIKeyWDSROZOWDJDJRU-UHFFFAOYSA-N
XLogP1.91
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
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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Related Compounds

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
CID 55038602
2-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide
CID 24691587
6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride
CID 47002494
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride
CID 119376909
4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide
CID 114904706
N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 119630697
(2S)-2-cyano-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methyl-3-oxopropanamide
CID 98360581
2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]-4-methylpentanoic acid
CID 119188115
[4-(1-aminoethyl)piperidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 119520955
[(3S,5R)-3,5-dimethylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 124590558
4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide
CID 55050286
3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 66391530

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide (CID 43658360) is 4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(-n2nc(C)cc2C)c(F)c1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide?
The InChIKey is WDSROZOWDJDJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-7-5-8(2)17(16-7)11-4-3-9(12(14)15)6-10(11)13/h3-6H,1-2H3,(H3,14,15).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide?
4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide has a molecular weight of 232.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 43658360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).