2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide

C14H22ClN5O — CID 79282579

IUPAC2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide
SMILESCCCc1nn(C)c2c1nc(CCCl)n2CC(=O)N(C)C
InChIInChI=1S/C14H22ClN5O/c1-5-6-10-13-14(19(4)17-10)20(9-12(21)18(2)3)11(16-13)7-8-15/h5-9H2,1-4H3
InChIKeyJGZPGNMCPMWIFO-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.59
Rot. Bonds6

About 2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide

2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide (PubChem CID 79282579) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide
PubChem CID79282579
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide
SMILESCCCc1nn(C)c2c1nc(CCCl)n2CC(=O)N(C)C
InChIInChI=1S/C14H22ClN5O/c1-5-6-10-13-14(19(4)17-10)20(9-12(21)18(2)3)11(16-13)7-8-15/h5-9H2,1-4H3
InChIKeyJGZPGNMCPMWIFO-UHFFFAOYSA-N
XLogP1.59
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethylacetamide
CID 79304895
3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide
CID 79305021
5-(2-chloroethyl)-6-(3-methoxy-2-methylpropyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole
CID 79284851
2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine
CID 79305099
2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]ethyl carbamate
CID 83203895
methyl 3-[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propanoate
CID 79300353
5-(2-chloroethyl)-6-cyclobutyl-1-methyl-3-propylimidazo[4,5-d]pyrazole
CID 79305792
5-(chloromethyl)-6-(cyclopentylmethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole
CID 79305166
5-(chloromethyl)-6-(cyclohexylmethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole
CID 79282586
5-(chloromethyl)-6-(3-ethoxypropyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole
CID 79305644
5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole
CID 79305301
2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylacetamide
CID 79297215

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide (CID 79282579) is 2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide is CCCc1nn(C)c2c1nc(CCCl)n2CC(=O)N(C)C.
What is the InChIKey of 2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide?
The InChIKey is JGZPGNMCPMWIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-5-6-10-13-14(19(4)17-10)20(9-12(21)18(2)3)11(16-13)7-8-15/h5-9H2,1-4H3.
What are the key properties of 2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide?
2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide has a molecular weight of 311.82 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 79282579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).