2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine

C19H22N4O — CID 133489669

IUPAC2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCC3(c4ccccc4)CCOCC3)nccn2n1
InChIInChI=1S/C19H22N4O/c1-15-13-17-18(20-9-10-23(17)22-15)21-14-19(7-11-24-12-8-19)16-5-3-2-4-6-16/h2-6,9-10,13H,7-8,11-12,14H2,1H3,(H,20,21)
InChIKeyNBQKMFSDAHPMEJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.20
Rot. Bonds4

About 2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine

2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 133489669) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID133489669
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCC3(c4ccccc4)CCOCC3)nccn2n1
InChIInChI=1S/C19H22N4O/c1-15-13-17-18(20-9-10-23(17)22-15)21-14-19(7-11-24-12-8-19)16-5-3-2-4-6-16/h2-6,9-10,13H,7-8,11-12,14H2,1H3,(H,20,21)
InChIKeyNBQKMFSDAHPMEJ-UHFFFAOYSA-N
XLogP3.20
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine (CID 133489669) is 2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCC3(c4ccccc4)CCOCC3)nccn2n1.
What is the InChIKey of 2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is NBQKMFSDAHPMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-13-17-18(20-9-10-23(17)22-15)21-14-19(7-11-24-12-8-19)16-5-3-2-4-6-16/h2-6,9-10,13H,7-8,11-12,14H2,1H3,(H,20,21).
What are the key properties of 2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 322.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 133489669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).