5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole

C14H19ClN6 — CID 79282236

IUPAC5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole
SMILESCCc1nn(C)c2c1nc(CCCl)n2Cc1cnn(C)c1
InChIInChI=1S/C14H19ClN6/c1-4-11-13-14(20(3)18-11)21(12(17-13)5-6-15)9-10-7-16-19(2)8-10/h7-8H,4-6,9H2,1-3H3
InChIKeyMKVSDAAKKMAVDH-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.90
Rot. Bonds5

About 5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole

5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole (PubChem CID 79282236) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole
PubChem CID79282236
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole
SMILESCCc1nn(C)c2c1nc(CCCl)n2Cc1cnn(C)c1
InChIInChI=1S/C14H19ClN6/c1-4-11-13-14(20(3)18-11)21(12(17-13)5-6-15)9-10-7-16-19(2)8-10/h7-8H,4-6,9H2,1-3H3
InChIKeyMKVSDAAKKMAVDH-UHFFFAOYSA-N
XLogP1.90
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(chloromethyl)-1,3-dimethyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole
CID 79287958
2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-5-methyl-1,3-oxazole
CID 106375765
2-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole
CID 79300011
5-(2-chloroethyl)-3-ethyl-1-methyl-6-(pyridazin-3-ylmethyl)imidazo[4,5-d]pyrazole
CID 106896974
3-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,2,4-oxadiazole
CID 106407034
methyl 3-[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]propanoate
CID 79300353
5-(chloromethyl)-3-ethyl-1-methyl-6-[(3-methylphenyl)methyl]imidazo[4,5-d]pyrazole
CID 79282481
5-(2-chloroethyl)-6-(2,2-dimethylcyclopropyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
CID 79300013
5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)imidazo[4,5-d]pyrazole
CID 79779319
1-methyl-6-[(1-methylpyrazol-4-yl)methyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79299754
5-(2-chloroethyl)-6-(3-methoxy-2-methylpropyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole
CID 79284851
2-[5-(2-chloroethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylacetamide
CID 79282579

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole (CID 79282236) is 5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole is CCc1nn(C)c2c1nc(CCCl)n2Cc1cnn(C)c1.
What is the InChIKey of 5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole?
The InChIKey is MKVSDAAKKMAVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6/c1-4-11-13-14(20(3)18-11)21(12(17-13)5-6-15)9-10-7-16-19(2)8-10/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole?
5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole has a molecular weight of 306.80 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-d]pyrazole is sourced from PubChem (CID 79282236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).