6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine

C14H16ClN5 — CID 79299647

IUPAC6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2Cc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN5/c1-3-11-12-13(19(2)18-11)20(14(16)17-12)8-9-5-4-6-10(15)7-9/h4-7H,3,8H2,1-2H3,(H2,16,17)
InChIKeyZGOHHLJWPWTEFH-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.62
Rot. Bonds3

About 6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine

6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79299647) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79299647
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2Cc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN5/c1-3-11-12-13(19(2)18-11)20(14(16)17-12)8-9-5-4-6-10(15)7-9/h4-7H,3,8H2,1-2H3,(H2,16,17)
InChIKeyZGOHHLJWPWTEFH-UHFFFAOYSA-N
XLogP2.62
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine 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

3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79299850
3-ethyl-1-methyl-6-(thiophen-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79300537
5-(chloromethyl)-3-ethyl-1-methyl-6-[(3-methylphenyl)methyl]imidazo[4,5-d]pyrazole
CID 79282481
6-benzyl-5-(1-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
CID 79281467
3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine
CID 104591885
5-(1-chloroethyl)-6-(3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
CID 79282473
6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79279771
3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile
CID 79297433
1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79304886
3-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79299715
8-amino-7-[(3-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CID 66485201
6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 107613979

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine (CID 79299647) is 6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2Cc1cccc(Cl)c1.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is ZGOHHLJWPWTEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c1-3-11-12-13(19(2)18-11)20(14(16)17-12)8-9-5-4-6-10(15)7-9/h4-7H,3,8H2,1-2H3,(H2,16,17).
What are the key properties of 6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 289.77 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79299647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).