5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole

C14H16N4S — CID 135890773

IUPAC5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
SMILESc1csc(Cn2ncc3[nH]c(C4CCCC4)nc32)c1
InChIInChI=1S/C14H16N4S/c1-2-5-10(4-1)13-16-12-8-15-18(14(12)17-13)9-11-6-3-7-19-11/h3,6-8,10H,1-2,4-5,9H2,(H,16,17)
InChIKeyKVVXPUJLOFFXNE-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.53
Rot. Bonds3

About 5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole

5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135890773) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135890773
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
SMILESc1csc(Cn2ncc3[nH]c(C4CCCC4)nc32)c1
InChIInChI=1S/C14H16N4S/c1-2-5-10(4-1)13-16-12-8-15-18(14(12)17-13)9-11-6-3-7-19-11/h3,6-8,10H,1-2,4-5,9H2,(H,16,17)
InChIKeyKVVXPUJLOFFXNE-UHFFFAOYSA-N
XLogP3.53
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole (CID 135890773) is 5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole is c1csc(Cn2ncc3[nH]c(C4CCCC4)nc32)c1.
What is the InChIKey of 5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is KVVXPUJLOFFXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-5-10(4-1)13-16-12-8-15-18(14(12)17-13)9-11-6-3-7-19-11/h3,6-8,10H,1-2,4-5,9H2,(H,16,17).
What are the key properties of 5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 272.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135890773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).