6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one

C16H16N4O — CID 71765459

IUPAC6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1[nH]c(-c2ccc(N3CCCC3)cc2)cn2nccc12
InChIInChI=1S/C16H16N4O/c21-16-15-7-8-17-20(15)11-14(18-16)12-3-5-13(6-4-12)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,18,21)
InChIKeyMECATYWNEXNJKF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.29
Rot. Bonds2

About 6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one

6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 71765459) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID71765459
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1[nH]c(-c2ccc(N3CCCC3)cc2)cn2nccc12
InChIInChI=1S/C16H16N4O/c21-16-15-7-8-17-20(15)11-14(18-16)12-3-5-13(6-4-12)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,18,21)
InChIKeyMECATYWNEXNJKF-UHFFFAOYSA-N
XLogP2.29
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-methyl-6-oxo-3-pyridinyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163302156
6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 71765458
2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781766
4-[4-(azepan-1-yl)phenyl]-2H-phthalazin-1-one;ethane
CID 90706844
2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid
CID 142699348
2-(4-pyrrolidin-1-ylphenyl)triazole
CID 168515524
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
ethane;5-(4-pyrrolidin-1-ylphenyl)-3-[3-[5-(4-pyrrolidin-1-ylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 144833651
2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136501828
4-(4-piperidin-1-ylphenyl)aniline
CID 45277459
1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
CID 113296281
2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile
CID 21404523

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 71765459) is 6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one is O=c1[nH]c(-c2ccc(N3CCCC3)cc2)cn2nccc12.
What is the InChIKey of 6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MECATYWNEXNJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-16-15-7-8-17-20(15)11-14(18-16)12-3-5-13(6-4-12)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,18,21).
What are the key properties of 6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 280.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 71765459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).