1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine

C15H21N5S — CID 79282138

IUPAC1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2C(C)Cc1cccs1
InChIInChI=1S/C15H21N5S/c1-4-6-12-13-14(19(3)18-12)20(15(16)17-13)10(2)9-11-7-5-8-21-11/h5,7-8,10H,4,6,9H2,1-3H3,(H2,16,17)
InChIKeyOVCYDAAKDTXRRW-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.17
Rot. Bonds5

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

1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79282138) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79282138
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2C(C)Cc1cccs1
InChIInChI=1S/C15H21N5S/c1-4-6-12-13-14(19(3)18-12)20(15(16)17-13)10(2)9-11-7-5-8-21-11/h5,7-8,10H,4,6,9H2,1-3H3,(H2,16,17)
InChIKeyOVCYDAAKDTXRRW-UHFFFAOYSA-N
XLogP3.17
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine (CID 79282138) is 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine is CCCc1nn(C)c2c1nc(N)n2C(C)Cc1cccs1.
What is the InChIKey of 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is OVCYDAAKDTXRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-4-6-12-13-14(19(3)18-12)20(15(16)17-13)10(2)9-11-7-5-8-21-11/h5,7-8,10H,4,6,9H2,1-3H3,(H2,16,17).
What are the key properties of 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 303.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79282138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).