4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide

C14H16F2N4 — CID 82693934

IUPAC4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(-n2nc(CC)cc2CC)c(F)c1
InChIInChI=1S/C14H16F2N4/c1-3-9-7-10(4-2)20(19-9)13-11(15)5-8(14(17)18)6-12(13)16/h5-7H,3-4H2,1-2H3,(H3,17,18)
InChIKeyKAILJIUSLCJFNP-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.56
Rot. Bonds4

About 4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide

4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide (PubChem CID 82693934) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide
PubChem CID82693934
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(-n2nc(CC)cc2CC)c(F)c1
InChIInChI=1S/C14H16F2N4/c1-3-9-7-10(4-2)20(19-9)13-11(15)5-8(14(17)18)6-12(13)16/h5-7H,3-4H2,1-2H3,(H3,17,18)
InChIKeyKAILJIUSLCJFNP-UHFFFAOYSA-N
XLogP2.56
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.56
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-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81293852
3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 81293618
2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide
CID 107279465
4-(diethylamino)-3,5-difluorobenzenecarboximidamide
CID 81293229
4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81293235
2-(3,5-diethylpyrazol-1-yl)ethanimidamide
CID 82695399
4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285682
4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid
CID 82694333
4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81293713
3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 81294206
4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81285537
(1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol
CID 82695199

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide (CID 82693934) is 4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(-n2nc(CC)cc2CC)c(F)c1.
What is the InChIKey of 4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide?
The InChIKey is KAILJIUSLCJFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-3-9-7-10(4-2)20(19-9)13-11(15)5-8(14(17)18)6-12(13)16/h5-7H,3-4H2,1-2H3,(H3,17,18).
What are the key properties of 4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide?
4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide has a molecular weight of 278.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 82693934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).