N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine

C10H8F2N6O — CID 171838964

IUPACN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine
SMILESFC(F)Oc1cc(Nc2cnc3cc[nH]c3n2)[nH]n1
InChIInChI=1S/C10H8F2N6O/c11-10(12)19-8-3-6(17-18-8)15-7-4-14-5-1-2-13-9(5)16-7/h1-4,10H,(H3,13,15,16,17,18)
InChIKeyUNDWAJHQAGCRLW-UHFFFAOYSA-N
MW266.21 g/mol
LogP2.03
Rot. Bonds4

About N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine

N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine (PubChem CID 171838964) has the molecular formula C10H8F2N6O and a molecular weight of 266.21 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine
PubChem CID171838964
Molecular FormulaC10H8F2N6O
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine
SMILESFC(F)Oc1cc(Nc2cnc3cc[nH]c3n2)[nH]n1
InChIInChI=1S/C10H8F2N6O/c11-10(12)19-8-3-6(17-18-8)15-7-4-14-5-1-2-13-9(5)16-7/h1-4,10H,(H3,13,15,16,17,18)
InChIKeyUNDWAJHQAGCRLW-UHFFFAOYSA-N
XLogP2.03
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine?
The IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine (CID 171838964) is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine?
The canonical SMILES for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine is FC(F)Oc1cc(Nc2cnc3cc[nH]c3n2)[nH]n1.
What is the InChIKey of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine?
The InChIKey is UNDWAJHQAGCRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N6O/c11-10(12)19-8-3-6(17-18-8)15-7-4-14-5-1-2-13-9(5)16-7/h1-4,10H,(H3,13,15,16,17,18).
What are the key properties of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine?
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine has a molecular weight of 266.21 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazin-3-amine is sourced from PubChem (CID 171838964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).