N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide

C16H19F2N5O2 — CID 164559291

IUPACN-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCN1CCC(F)(F)C1)c1cn2ncc(O)c2cn1
InChIInChI=1S/C16H19F2N5O2/c17-16(18)3-4-21(10-16)5-6-22(15(25)11-1-2-11)14-9-23-12(7-19-14)13(24)8-20-23/h7-9,11,24H,1-6,10H2
InChIKeyRITZDUMJFYJUAF-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.52
Rot. Bonds5

About N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide

N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide (PubChem CID 164559291) has the molecular formula C16H19F2N5O2 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide
PubChem CID164559291
Molecular FormulaC16H19F2N5O2
Molecular Weight351.36 g/mol
Exact Mass351.15
IUPAC NameN-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCN1CCC(F)(F)C1)c1cn2ncc(O)c2cn1
InChIInChI=1S/C16H19F2N5O2/c17-16(18)3-4-21(10-16)5-6-22(15(25)11-1-2-11)14-9-23-12(7-19-14)13(24)8-20-23/h7-9,11,24H,1-6,10H2
InChIKeyRITZDUMJFYJUAF-UHFFFAOYSA-N
XLogP1.52
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide?
The IUPAC name of N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide (CID 164559291) is N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide is O=C(C1CC1)N(CCN1CCC(F)(F)C1)c1cn2ncc(O)c2cn1.
What is the InChIKey of N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide?
The InChIKey is RITZDUMJFYJUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O2/c17-16(18)3-4-21(10-16)5-6-22(15(25)11-1-2-11)14-9-23-12(7-19-14)13(24)8-20-23/h7-9,11,24H,1-6,10H2.
What are the key properties of N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide?
N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide has a molecular weight of 351.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-(3-hydroxypyrazolo[1,5-a]pyrazin-6-yl)cyclopropanecarboxamide is sourced from PubChem (CID 164559291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).