1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione

C15H20N4S2 — CID 79282687

IUPAC1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCCCc1nn(C)c2c1[nH]c(=S)n2C(C)Cc1cccs1
InChIInChI=1S/C15H20N4S2/c1-4-6-12-13-14(18(3)17-12)19(15(20)16-13)10(2)9-11-7-5-8-21-11/h5,7-8,10H,4,6,9H2,1-3H3,(H,16,20)
InChIKeySVJWSNTZZRXTDG-UHFFFAOYSA-N
MW320.49 g/mol
LogP4.25
Rot. Bonds5

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

1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione (PubChem CID 79282687) has the molecular formula C15H20N4S2 and a molecular weight of 320.49 g/mol. Its IUPAC name is 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione.

Molecular Properties

Compound Name1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione
PubChem CID79282687
Molecular FormulaC15H20N4S2
Molecular Weight320.49 g/mol
Exact Mass320.11
IUPAC Name1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCCCc1nn(C)c2c1[nH]c(=S)n2C(C)Cc1cccs1
InChIInChI=1S/C15H20N4S2/c1-4-6-12-13-14(18(3)17-12)19(15(20)16-13)10(2)9-11-7-5-8-21-11/h5,7-8,10H,4,6,9H2,1-3H3,(H,16,20)
InChIKeySVJWSNTZZRXTDG-UHFFFAOYSA-N
XLogP4.25
TPSA38.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 54.25
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

1-methyl-6-(4-methylpentan-2-yl)-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79299958
6-hexan-2-yl-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79300449
1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79282138
3-ethyl-1-methyl-6-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79302713
7-chloro-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-2-thione
CID 104836476
methyl 2-(1-methyl-3-propyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanoate
CID 79300235
1,3-dimethyl-6-(1-thiophen-2-ylethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79294347
3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79302574
1-methyl-6-(2-methylbutyl)-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79299821
1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 103008275
1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine
CID 66019505
1-methyl-6-(oxan-4-yl)-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79299887

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione?
The IUPAC name of 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione (CID 79282687) is 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione.
What is the SMILES notation for 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione?
The canonical SMILES for 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione is CCCc1nn(C)c2c1[nH]c(=S)n2C(C)Cc1cccs1.
What is the InChIKey of 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione?
The InChIKey is SVJWSNTZZRXTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S2/c1-4-6-12-13-14(18(3)17-12)19(15(20)16-13)10(2)9-11-7-5-8-21-11/h5,7-8,10H,4,6,9H2,1-3H3,(H,16,20).
What are the key properties of 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione?
1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione has a molecular weight of 320.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione is sourced from PubChem (CID 79282687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).