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

C14H20N6S — CID 103008275

IUPAC1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCCCc1nn(C)c2c1[nH]c(=S)n2CCc1ccnn1C
InChIInChI=1S/C14H20N6S/c1-4-5-11-12-13(19(3)17-11)20(14(21)16-12)9-7-10-6-8-15-18(10)2/h6,8H,4-5,7,9H2,1-3H3,(H,16,21)
InChIKeyNMKHMVFNNMQQLD-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.36
Rot. Bonds5

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

1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione (PubChem CID 103008275) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione.

Molecular Properties

Compound Name1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
PubChem CID103008275
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCCCc1nn(C)c2c1[nH]c(=S)n2CCc1ccnn1C
InChIInChI=1S/C14H20N6S/c1-4-5-11-12-13(19(3)17-11)20(14(21)16-12)9-7-10-6-8-15-18(10)2/h6,8H,4-5,7,9H2,1-3H3,(H,16,21)
InChIKeyNMKHMVFNNMQQLD-UHFFFAOYSA-N
XLogP2.36
TPSA56.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-6-[(1-methylpyrazol-4-yl)methyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79299754
1-methyl-6-[(2-methylphenyl)methyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79280938
1-methyl-6-(2-methylbutyl)-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79299821
6-(2-cyclopentyloxyethyl)-1-methyl-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79282826
6-[2-(5-bromothiophen-2-yl)ethyl]-3-ethyl-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 106034829
1-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79300517
6-[2-(cyclopenten-1-yl)ethyl]-3-ethyl-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 106171693
1-methyl-6-(oxan-4-yl)-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79299887
1-methyl-3-propyl-6-(thian-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 80612588
3-ethyl-1-methyl-6-(3-methylsulfanylpropyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79300042
1-methyl-6-(3-methylpentan-3-yl)-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 106328872
1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 103008252

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The IUPAC name of 1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione (CID 103008275) is 1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione.
What is the SMILES notation for 1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The canonical SMILES for 1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione is CCCc1nn(C)c2c1[nH]c(=S)n2CCc1ccnn1C.
What is the InChIKey of 1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The InChIKey is NMKHMVFNNMQQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-4-5-11-12-13(19(3)17-11)20(14(21)16-12)9-7-10-6-8-15-18(10)2/h6,8H,4-5,7,9H2,1-3H3,(H,16,21).
What are the key properties of 1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione?
1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione has a molecular weight of 304.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[2-(2-methylpyrazol-3-yl)ethyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione is sourced from PubChem (CID 103008275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).