1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole

C12H14N4S — CID 135884224

IUPAC1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole
SMILESCC(C)Cn1ncc2[nH]c(-c3cccs3)nc21
InChIInChI=1S/C12H14N4S/c1-8(2)7-16-12-9(6-13-16)14-11(15-12)10-4-3-5-17-10/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyAGAMBICZMJZUFN-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.14
Rot. Bonds3

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

1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135884224) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole
PubChem CID135884224
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole
SMILESCC(C)Cn1ncc2[nH]c(-c3cccs3)nc21
InChIInChI=1S/C12H14N4S/c1-8(2)7-16-12-9(6-13-16)14-11(15-12)10-4-3-5-17-10/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyAGAMBICZMJZUFN-UHFFFAOYSA-N
XLogP3.14
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole (CID 135884224) is 1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole is CC(C)Cn1ncc2[nH]c(-c3cccs3)nc21.
What is the InChIKey of 1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is AGAMBICZMJZUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-8(2)7-16-12-9(6-13-16)14-11(15-12)10-4-3-5-17-10/h3-6,8H,7H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole?
1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 246.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-thiophen-2-yl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135884224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).