ethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one

C20H29N5O2 — CID 177158432

IUPACethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one
SMILESCC.CC(C)n1c(=O)ccn2nccc12.CCn1nc2c(cc1=O)CCC2
InChIInChI=1S/C9H11N3O.C9H12N2O.C2H6/c1-7(2)12-8-3-5-10-11(8)6-4-9(12)13;1-2-11-9(12)6-7-4-3-5-8(7)10-11;1-2/h3-7H,1-2H3;6H,2-5H2,1H3;1-2H3
InChIKeyIOBZQCYJPSPEIQ-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.86
Rot. Bonds2

About ethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one

ethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 177158432) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is ethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Nameethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one
PubChem CID177158432
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Nameethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one
SMILESCC.CC(C)n1c(=O)ccn2nccc12.CCn1nc2c(cc1=O)CCC2
InChIInChI=1S/C9H11N3O.C9H12N2O.C2H6/c1-7(2)12-8-3-5-10-11(8)6-4-9(12)13;1-2-11-9(12)6-7-4-3-5-8(7)10-11;1-2/h3-7H,1-2H3;6H,2-5H2,1H3;1-2H3
InChIKeyIOBZQCYJPSPEIQ-UHFFFAOYSA-N
XLogP2.86
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126857417
2-[[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928268
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide
CID 52903099
N-(2-ethylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)acetamide
CID 22425572
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide
CID 75465727
2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126851792
2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862979
N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52902394
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928177
2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 122279906
2-[[1-[(2-methyltriazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864868
2-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864997

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of ethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one (CID 177158432) is ethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for ethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for ethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one is CC.CC(C)n1c(=O)ccn2nccc12.CCn1nc2c(cc1=O)CCC2.
What is the InChIKey of ethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is IOBZQCYJPSPEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O.C9H12N2O.C2H6/c1-7(2)12-8-3-5-10-11(8)6-4-9(12)13;1-2-11-9(12)6-7-4-3-5-8(7)10-11;1-2/h3-7H,1-2H3;6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one?
ethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 371.49 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 177158432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).