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

C12H12ClFN4 — CID 55038602

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2nc(C)c(Cl)c2C)c(F)c1
InChIInChI=1S/C12H12ClFN4/c1-6-11(13)7(2)18(17-6)10-4-3-8(12(15)16)5-9(10)14/h3-5H,1-2H3,(H3,15,16)
InChIKeyMQXZEMHPLRIJRW-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.57
Rot. Bonds2

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

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide (PubChem CID 55038602) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
PubChem CID55038602
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2nc(C)c(Cl)c2C)c(F)c1
InChIInChI=1S/C12H12ClFN4/c1-6-11(13)7(2)18(17-6)10-4-3-8(12(15)16)5-9(10)14/h3-5H,1-2H3,(H3,15,16)
InChIKeyMQXZEMHPLRIJRW-UHFFFAOYSA-N
XLogP2.57
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.57
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide (CID 55038602) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(-n2nc(C)c(Cl)c2C)c(F)c1.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide?
The InChIKey is MQXZEMHPLRIJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c1-6-11(13)7(2)18(17-6)10-4-3-8(12(15)16)5-9(10)14/h3-5H,1-2H3,(H3,15,16).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide has a molecular weight of 266.71 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 55038602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).