2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide

C14H20ClN5O — CID 79283554

IUPAC2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide
SMILESCCn1nc(C)c2nc(CCCl)n(CC(=O)NC3CC3)c21
InChIInChI=1S/C14H20ClN5O/c1-3-20-14-13(9(2)18-20)17-11(6-7-15)19(14)8-12(21)16-10-4-5-10/h10H,3-8H2,1-2H3,(H,16,21)
InChIKeyARQMNBISOZKJBX-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.62
Rot. Bonds6

About 2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide

2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide (PubChem CID 79283554) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide
PubChem CID79283554
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide
SMILESCCn1nc(C)c2nc(CCCl)n(CC(=O)NC3CC3)c21
InChIInChI=1S/C14H20ClN5O/c1-3-20-14-13(9(2)18-20)17-11(6-7-15)19(14)8-12(21)16-10-4-5-10/h10H,3-8H2,1-2H3,(H,16,21)
InChIKeyARQMNBISOZKJBX-UHFFFAOYSA-N
XLogP1.62
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide (CID 79283554) is 2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide is CCn1nc(C)c2nc(CCCl)n(CC(=O)NC3CC3)c21.
What is the InChIKey of 2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide?
The InChIKey is ARQMNBISOZKJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-3-20-14-13(9(2)18-20)17-11(6-7-15)19(14)8-12(21)16-10-4-5-10/h10H,3-8H2,1-2H3,(H,16,21).
What are the key properties of 2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide?
2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide has a molecular weight of 309.80 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 79283554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).