1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine

C14H17N5O — CID 79305612

IUPAC1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3ccccc3OC)c21
InChIInChI=1S/C14H17N5O/c1-4-18-13-12(9(2)17-18)16-14(15)19(13)10-7-5-6-8-11(10)20-3/h5-8H,4H2,1-3H3,(H2,15,16)
InChIKeyFNSPICYMMDSINU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.14
Rot. Bonds3

About 1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine

1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79305612) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79305612
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3ccccc3OC)c21
InChIInChI=1S/C14H17N5O/c1-4-18-13-12(9(2)17-18)16-14(15)19(13)10-7-5-6-8-11(10)20-3/h5-8H,4H2,1-3H3,(H2,15,16)
InChIKeyFNSPICYMMDSINU-UHFFFAOYSA-N
XLogP2.14
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 79305612) is 1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(-c3ccccc3OC)c21.
What is the InChIKey of 1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is FNSPICYMMDSINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-4-18-13-12(9(2)17-18)16-14(15)19(13)10-7-5-6-8-11(10)20-3/h5-8H,4H2,1-3H3,(H2,15,16).
What are the key properties of 1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine?
1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 271.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79305612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).