1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone

C15H16N4O — CID 50973577

IUPAC1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCNC2)N1Cc2ccccc2C1
InChIInChI=1S/C15H16N4O/c20-15(14-7-13-8-16-5-6-19(13)17-14)18-9-11-3-1-2-4-12(11)10-18/h1-4,7,16H,5-6,8-10H2
InChIKeyWDTUDFDICQKDSU-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.14
Rot. Bonds1

About 1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone

1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone (PubChem CID 50973577) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
PubChem CID50973577
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCNC2)N1Cc2ccccc2C1
InChIInChI=1S/C15H16N4O/c20-15(14-7-13-8-16-5-6-19(13)17-14)18-9-11-3-1-2-4-12(11)10-18/h1-4,7,16H,5-6,8-10H2
InChIKeyWDTUDFDICQKDSU-UHFFFAOYSA-N
XLogP1.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone with MolForge

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Related Compounds

[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
CID 50951867
3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
CID 70737714
[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone;hydrochloride
CID 154889232
3-(1,3-dihydroisoindole-2-carbonyl)-1-propan-2-ylpyrazole-5-carboxylic acid
CID 117215506
piperazin-1-yl(pyrazolo[1,5-a]pyridin-2-yl)methanone
CID 71778231
(5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 117215254
[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
CID 50978913
[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
CID 50955650
N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 164534309
N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane
CID 171650641
2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 118048244
2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 84670414

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone (CID 50973577) is 1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone is O=C(c1cc2n(n1)CCNC2)N1Cc2ccccc2C1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
The InChIKey is WDTUDFDICQKDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c20-15(14-7-13-8-16-5-6-19(13)17-14)18-9-11-3-1-2-4-12(11)10-18/h1-4,7,16H,5-6,8-10H2.
What are the key properties of 1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone has a molecular weight of 268.32 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 50973577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).