N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide

C16H25N3O4 — CID 131658877

IUPACN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide
SMILESCOCCn1cc2c(n1)C(CNC(=O)C1CCOCC1)OCC2
InChIInChI=1S/C16H25N3O4/c1-21-9-5-19-11-13-4-8-23-14(15(13)18-19)10-17-16(20)12-2-6-22-7-3-12/h11-12,14H,2-10H2,1H3,(H,17,20)
InChIKeyWGUDMJILXAJSOK-UHFFFAOYSA-N
MW323.39 g/mol
LogP0.69
Rot. Bonds6

About N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide

N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide (PubChem CID 131658877) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide
PubChem CID131658877
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide
SMILESCOCCn1cc2c(n1)C(CNC(=O)C1CCOCC1)OCC2
InChIInChI=1S/C16H25N3O4/c1-21-9-5-19-11-13-4-8-23-14(15(13)18-19)10-17-16(20)12-2-6-22-7-3-12/h11-12,14H,2-10H2,1H3,(H,17,20)
InChIKeyWGUDMJILXAJSOK-UHFFFAOYSA-N
XLogP0.69
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide with MolForge

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Related Compounds

N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide
CID 97367833
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxane-4-carboxamide
CID 131681343
N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide
CID 97382366
N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide
CID 97367793
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide
CID 131652372
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 118740765
N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide
CID 97382363
N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155834913
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155845236
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155849828
2-(dimethylamino)-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]acetamide
CID 97367929
N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide
CID 97367899

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide (CID 131658877) is N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide is COCCn1cc2c(n1)C(CNC(=O)C1CCOCC1)OCC2.
What is the InChIKey of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide?
The InChIKey is WGUDMJILXAJSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-21-9-5-19-11-13-4-8-23-14(15(13)18-19)10-17-16(20)12-2-6-22-7-3-12/h11-12,14H,2-10H2,1H3,(H,17,20).
What are the key properties of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide?
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 131658877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).