N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide

C17H24N4O3 — CID 118740765

IUPACN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
SMILESCOCCn1cc2c(n1)C(CNC(=O)c1cc(C)[nH]c1C)OCC2
InChIInChI=1S/C17H24N4O3/c1-11-8-14(12(2)19-11)17(22)18-9-15-16-13(4-6-24-15)10-21(20-16)5-7-23-3/h8,10,15,19H,4-7,9H2,1-3H3,(H,18,22)
InChIKeyZOMAQPCRZUZYCU-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.52
Rot. Bonds6

About N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide

N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 118740765) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID118740765
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
SMILESCOCCn1cc2c(n1)C(CNC(=O)c1cc(C)[nH]c1C)OCC2
InChIInChI=1S/C17H24N4O3/c1-11-8-14(12(2)19-11)17(22)18-9-15-16-13(4-6-24-15)10-21(20-16)5-7-23-3/h8,10,15,19H,4-7,9H2,1-3H3,(H,18,22)
InChIKeyZOMAQPCRZUZYCU-UHFFFAOYSA-N
XLogP1.52
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-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]-5-methylfuran-2-carboxamide
CID 97382366
N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide
CID 97382363
N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide
CID 97367833
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]oxane-4-carboxamide
CID 131658877
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-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide
CID 97367895
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-methoxy-4-methylbenzamide
CID 131682787
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-5-tert-butyl-2-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155866299
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2,5-difluorobenzamide
CID 131682862

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]-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 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) is N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide is COCCn1cc2c(n1)C(CNC(=O)c1cc(C)[nH]c1C)OCC2.
What is the InChIKey of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is ZOMAQPCRZUZYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11-8-14(12(2)19-11)17(22)18-9-15-16-13(4-6-24-15)10-21(20-16)5-7-23-3/h8,10,15,19H,4-7,9H2,1-3H3,(H,18,22).
What are the key properties of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide?
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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]-2,5-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 118740765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).