6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione

C15H17FN4S — CID 79281235

IUPAC6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCCCc1nn(C)c2c1[nH]c(=S)n2-c1ccc(F)cc1C
InChIInChI=1S/C15H17FN4S/c1-4-5-11-13-14(19(3)18-11)20(15(21)17-13)12-7-6-10(16)8-9(12)2/h6-8H,4-5H2,1-3H3,(H,17,21)
InChIKeyLZVUJWDQYKWZHC-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.82
Rot. Bonds3

About 6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione

6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione (PubChem CID 79281235) has the molecular formula C15H17FN4S and a molecular weight of 304.39 g/mol. Its IUPAC name is 6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione.

Molecular Properties

Compound Name6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
PubChem CID79281235
Molecular FormulaC15H17FN4S
Molecular Weight304.39 g/mol
Exact Mass304.12
IUPAC Name6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCCCc1nn(C)c2c1[nH]c(=S)n2-c1ccc(F)cc1C
InChIInChI=1S/C15H17FN4S/c1-4-5-11-13-14(19(3)18-11)20(15(21)17-13)12-7-6-10(16)8-9(12)2/h6-8H,4-5H2,1-3H3,(H,17,21)
InChIKeyLZVUJWDQYKWZHC-UHFFFAOYSA-N
XLogP3.82
TPSA38.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(2-chloro-4-fluorophenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79282109
6-(4-chloro-2-iodophenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 107636874
1-methyl-6-(3-methylphenyl)-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79300165
6-(3,4-dichlorophenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79282679
1-methyl-6-[(2-methylphenyl)methyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79280938
2-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-6-methylbenzonitrile
CID 107799546
6-(4-bromo-2,6-difluorophenyl)-3-ethyl-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79278109
1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 103008275
6-(4-bromo-3-fluorophenyl)-3-ethyl-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79299973
1-methyl-6-(3-methylpentan-3-yl)-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 106328872
1-methyl-6-(4-methylpentan-2-yl)-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79299958
6-(3,4-dichlorophenyl)-3-ethyl-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79302142

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The IUPAC name of 6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione (CID 79281235) is 6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione.
What is the SMILES notation for 6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The canonical SMILES for 6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione is CCCc1nn(C)c2c1[nH]c(=S)n2-c1ccc(F)cc1C.
What is the InChIKey of 6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The InChIKey is LZVUJWDQYKWZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4S/c1-4-5-11-13-14(19(3)18-11)20(15(21)17-13)12-7-6-10(16)8-9(12)2/h6-8H,4-5H2,1-3H3,(H,17,21).
What are the key properties of 6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione?
6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione has a molecular weight of 304.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methylphenyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione is sourced from PubChem (CID 79281235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).