1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione

C14H17N5S — CID 114537953

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCc1cc(C)n(CCCn2c(=S)[nH]c3cnccc32)n1
InChIInChI=1S/C14H17N5S/c1-10-8-11(2)19(17-10)7-3-6-18-13-4-5-15-9-12(13)16-14(18)20/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,20)
InChIKeyVFWSKGYWHFXQEE-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.00
Rot. Bonds4

About 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 114537953) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID114537953
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCc1cc(C)n(CCCn2c(=S)[nH]c3cnccc32)n1
InChIInChI=1S/C14H17N5S/c1-10-8-11(2)19(17-10)7-3-6-18-13-4-5-15-9-12(13)16-14(18)20/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,20)
InChIKeyVFWSKGYWHFXQEE-UHFFFAOYSA-N
XLogP3.00
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-1H-benzimidazole-2-thione
CID 114537977
N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide
CID 114175397
ethyl 4-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)butanoate
CID 79296289
1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 103008252
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1H-imidazole-2-thione
CID 114538956
1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79756408
1-(2-piperidin-1-ylethyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 24839155
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 114538137
1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 106185000
1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 114516207
1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295384
1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295839

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione (CID 114537953) is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione is Cc1cc(C)n(CCCn2c(=S)[nH]c3cnccc32)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is VFWSKGYWHFXQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-10-8-11(2)19(17-10)7-3-6-18-13-4-5-15-9-12(13)16-14(18)20/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,20).
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione?
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 287.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 114537953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).