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

C14H16ClN5O — CID 79279771

IUPAC6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2-c1cc(Cl)ccc1OC
InChIInChI=1S/C14H16ClN5O/c1-4-9-12-13(19(2)18-9)20(14(16)17-12)10-7-8(15)5-6-11(10)21-3/h5-7H,4H2,1-3H3,(H2,16,17)
InChIKeyGUFBUOWHVHRWNU-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.57
Rot. Bonds3

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

6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79279771) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79279771
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2-c1cc(Cl)ccc1OC
InChIInChI=1S/C14H16ClN5O/c1-4-9-12-13(19(2)18-9)20(14(16)17-12)10-7-8(15)5-6-11(10)21-3/h5-7H,4H2,1-3H3,(H2,16,17)
InChIKeyGUFBUOWHVHRWNU-UHFFFAOYSA-N
XLogP2.57
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine (CID 79279771) is 6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2-c1cc(Cl)ccc1OC.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is GUFBUOWHVHRWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-4-9-12-13(19(2)18-9)20(14(16)17-12)10-7-8(15)5-6-11(10)21-3/h5-7H,4H2,1-3H3,(H2,16,17).
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 305.77 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79279771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).