N-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine

C19H25N5 — CID 54333376

IUPACN-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine
SMILESCCCCC(CC)CNc1cnc2c(cnn2-c2ccccc2)n1
InChIInChI=1S/C19H25N5/c1-3-5-9-15(4-2)12-20-18-14-21-19-17(23-18)13-22-24(19)16-10-7-6-8-11-16/h6-8,10-11,13-15H,3-5,9,12H2,1-2H3,(H,20,23)
InChIKeySZXALLHCMOJIIB-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.44
Rot. Bonds8

About N-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine

N-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine (PubChem CID 54333376) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine
PubChem CID54333376
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC NameN-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine
SMILESCCCCC(CC)CNc1cnc2c(cnn2-c2ccccc2)n1
InChIInChI=1S/C19H25N5/c1-3-5-9-15(4-2)12-20-18-14-21-19-17(23-18)13-22-24(19)16-10-7-6-8-11-16/h6-8,10-11,13-15H,3-5,9,12H2,1-2H3,(H,20,23)
InChIKeySZXALLHCMOJIIB-UHFFFAOYSA-N
XLogP4.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine?
The IUPAC name of N-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine (CID 54333376) is N-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine is CCCCC(CC)CNc1cnc2c(cnn2-c2ccccc2)n1.
What is the InChIKey of N-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine?
The InChIKey is SZXALLHCMOJIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-3-5-9-15(4-2)12-20-18-14-21-19-17(23-18)13-22-24(19)16-10-7-6-8-11-16/h6-8,10-11,13-15H,3-5,9,12H2,1-2H3,(H,20,23).
What are the key properties of N-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine?
N-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine has a molecular weight of 323.44 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 54333376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).