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

C13H17N5S — CID 79304886

IUPAC1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2Cc1ccsc1
InChIInChI=1S/C13H17N5S/c1-3-4-10-11-12(17(2)16-10)18(13(14)15-11)7-9-5-6-19-8-9/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15)
InChIKeyCACPXQFMXWYJRG-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.41
Rot. Bonds4

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

1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79304886) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79304886
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2Cc1ccsc1
InChIInChI=1S/C13H17N5S/c1-3-4-10-11-12(17(2)16-10)18(13(14)15-11)7-9-5-6-19-8-9/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15)
InChIKeyCACPXQFMXWYJRG-UHFFFAOYSA-N
XLogP2.41
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.41
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-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine (CID 79304886) is 1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine is CCCc1nn(C)c2c1nc(N)n2Cc1ccsc1.
What is the InChIKey of 1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is CACPXQFMXWYJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-3-4-10-11-12(17(2)16-10)18(13(14)15-11)7-9-5-6-19-8-9/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15).
What are the key properties of 1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 275.38 g/mol, XLogP of 2.41, 4 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-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79304886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).