N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine

C13H15F2N7O — CID 168752086

IUPACN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine
SMILESCC(C)Cn1ncc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21
InChIInChI=1S/C13H15F2N7O/c1-7(2)6-22-12-8(4-17-22)16-5-10(19-12)18-9-3-11(21-20-9)23-13(14)15/h3-5,7,13H,6H2,1-2H3,(H2,18,19,20,21)
InChIKeyMOWKCUVCCDJZFD-UHFFFAOYSA-N
MW323.31 g/mol
LogP2.55
Rot. Bonds6

About N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine

N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 168752086) has the molecular formula C13H15F2N7O and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID168752086
Molecular FormulaC13H15F2N7O
Molecular Weight323.31 g/mol
Exact Mass323.13
IUPAC NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine
SMILESCC(C)Cn1ncc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21
InChIInChI=1S/C13H15F2N7O/c1-7(2)6-22-12-8(4-17-22)16-5-10(19-12)18-9-3-11(21-20-9)23-13(14)15/h3-5,7,13H,6H2,1-2H3,(H2,18,19,20,21)
InChIKeyMOWKCUVCCDJZFD-UHFFFAOYSA-N
XLogP2.55
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine (CID 168752086) is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine is CC(C)Cn1ncc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21.
What is the InChIKey of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is MOWKCUVCCDJZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N7O/c1-7(2)6-22-12-8(4-17-22)16-5-10(19-12)18-9-3-11(21-20-9)23-13(14)15/h3-5,7,13H,6H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine?
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 323.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 168752086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).