3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one

C14H21N3O3 — CID 146072644

IUPAC3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
SMILESCn1nc(CCC(=O)N2CCOCC2)c2c1CCOC2
InChIInChI=1S/C14H21N3O3/c1-16-13-4-7-20-10-11(13)12(15-16)2-3-14(18)17-5-8-19-9-6-17/h2-10H2,1H3
InChIKeyQSJOORVNBQMEHT-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.28
Rot. Bonds3

About 3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one

3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 146072644) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID146072644
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
SMILESCn1nc(CCC(=O)N2CCOCC2)c2c1CCOC2
InChIInChI=1S/C14H21N3O3/c1-16-13-4-7-20-10-11(13)12(15-16)2-3-14(18)17-5-8-19-9-6-17/h2-10H2,1H3
InChIKeyQSJOORVNBQMEHT-UHFFFAOYSA-N
XLogP0.28
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

1-(azepan-1-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propan-1-one
CID 146071198
N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 146072632
N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 146071181
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 146072655
3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 172908850
N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide
CID 146073424
3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
CID 154578966
3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 103002033
1-morpholin-4-yl-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109015660
3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide
CID 154578527
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-methylsulfanylbenzamide
CID 71808473
N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 154578957

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one (CID 146072644) is 3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one is Cn1nc(CCC(=O)N2CCOCC2)c2c1CCOC2.
What is the InChIKey of 3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is QSJOORVNBQMEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16-13-4-7-20-10-11(13)12(15-16)2-3-14(18)17-5-8-19-9-6-17/h2-10H2,1H3.
What are the key properties of 3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one?
3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 279.34 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 146072644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).