1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole

C14H16N4S — CID 135897485

IUPAC1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole
SMILESCc1nn(C2CCCC2)c2nc(-c3cccs3)[nH]c12
InChIInChI=1S/C14H16N4S/c1-9-12-14(18(17-9)10-5-2-3-6-10)16-13(15-12)11-7-4-8-19-11/h4,7-8,10H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyCZEBDESBRPOBSY-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.91
Rot. Bonds2

About 1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole

1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135897485) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole
PubChem CID135897485
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole
SMILESCc1nn(C2CCCC2)c2nc(-c3cccs3)[nH]c12
InChIInChI=1S/C14H16N4S/c1-9-12-14(18(17-9)10-5-2-3-6-10)16-13(15-12)11-7-4-8-19-11/h4,7-8,10H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyCZEBDESBRPOBSY-UHFFFAOYSA-N
XLogP3.91
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole (CID 135897485) is 1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole is Cc1nn(C2CCCC2)c2nc(-c3cccs3)[nH]c12.
What is the InChIKey of 1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is CZEBDESBRPOBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9-12-14(18(17-9)10-5-2-3-6-10)16-13(15-12)11-7-4-8-19-11/h4,7-8,10H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole?
1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 272.38 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methyl-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135897485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).