1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine

C15H19N5 — CID 79297502

IUPAC1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCc1cccc(CCn2c(N)nc3c(C)nn(C)c32)c1
InChIInChI=1S/C15H19N5/c1-10-5-4-6-12(9-10)7-8-20-14-13(17-15(20)16)11(2)18-19(14)3/h4-6,9H,7-8H2,1-3H3,(H2,16,17)
InChIKeyANJOJJFTCGOPBT-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.21
Rot. Bonds3

About 1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine

1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79297502) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
PubChem CID79297502
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCc1cccc(CCn2c(N)nc3c(C)nn(C)c32)c1
InChIInChI=1S/C15H19N5/c1-10-5-4-6-12(9-10)7-8-20-14-13(17-15(20)16)11(2)18-19(14)3/h4-6,9H,7-8H2,1-3H3,(H2,16,17)
InChIKeyANJOJJFTCGOPBT-UHFFFAOYSA-N
XLogP2.21
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine (CID 79297502) is 1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine is Cc1cccc(CCn2c(N)nc3c(C)nn(C)c32)c1.
What is the InChIKey of 1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is ANJOJJFTCGOPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-10-5-4-6-12(9-10)7-8-20-14-13(17-15(20)16)11(2)18-19(14)3/h4-6,9H,7-8H2,1-3H3,(H2,16,17).
What are the key properties of 1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 269.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79297502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).