4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide

C12H12F2N4S — CID 81293880

IUPAC4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Sc2cc(C)nn2C)c(F)c1
InChIInChI=1S/C12H12F2N4S/c1-6-3-10(18(2)17-6)19-11-8(13)4-7(12(15)16)5-9(11)14/h3-5H,1-2H3,(H3,15,16)
InChIKeyHDWWNJSXLVDLGO-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.44
Rot. Bonds3

About 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide

4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide (PubChem CID 81293880) has the molecular formula C12H12F2N4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
PubChem CID81293880
Molecular FormulaC12H12F2N4S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Sc2cc(C)nn2C)c(F)c1
InChIInChI=1S/C12H12F2N4S/c1-6-3-10(18(2)17-6)19-11-8(13)4-7(12(15)16)5-9(11)14/h3-5H,1-2H3,(H3,15,16)
InChIKeyHDWWNJSXLVDLGO-UHFFFAOYSA-N
XLogP2.44
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.44
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

3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 81293390
3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 81293289
2-bromo-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-fluorobenzenecarboximidamide
CID 107537092
3,5-difluoro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 115383047
4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
CID 43658360
4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81294523
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81293385
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 62410324
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-fluorobenzoic acid
CID 62701290
4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanimidamide
CID 62410502
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorobenzenecarboximidamide
CID 55223784
3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 81293387

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide (CID 81293880) is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Sc2cc(C)nn2C)c(F)c1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide?
The InChIKey is HDWWNJSXLVDLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4S/c1-6-3-10(18(2)17-6)19-11-8(13)4-7(12(15)16)5-9(11)14/h3-5H,1-2H3,(H3,15,16).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide?
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide has a molecular weight of 282.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81293880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).