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

C15H21F2N3O3 — CID 131683104

IUPAC3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide
SMILESCOCCn1cc2c(n1)C(CNC(=O)C1CC(F)(F)C1)OCC2
InChIInChI=1S/C15H21F2N3O3/c1-22-5-3-20-9-10-2-4-23-12(13(10)19-20)8-18-14(21)11-6-15(16,17)7-11/h9,11-12H,2-8H2,1H3,(H,18,21)
InChIKeyBBDAEFUJGWBAJH-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.30
Rot. Bonds6

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

3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide (PubChem CID 131683104) has the molecular formula C15H21F2N3O3 and a molecular weight of 329.35 g/mol. Its IUPAC name is 3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide
PubChem CID131683104
Molecular FormulaC15H21F2N3O3
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Name3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide
SMILESCOCCn1cc2c(n1)C(CNC(=O)C1CC(F)(F)C1)OCC2
InChIInChI=1S/C15H21F2N3O3/c1-22-5-3-20-9-10-2-4-23-12(13(10)19-20)8-18-14(21)11-6-15(16,17)7-11/h9,11-12H,2-8H2,1H3,(H,18,21)
InChIKeyBBDAEFUJGWBAJH-UHFFFAOYSA-N
XLogP1.30
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide with MolForge

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Related Compounds

N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-methylsulfonylacetamide
CID 118739627
N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxan-4-amine
CID 118742962
N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxan-4-amine
CID 118742969
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine
CID 118742971
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine
CID 118742979
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1-(oxan-4-yl)methanamine
CID 118745792
N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxan-4-amine;2,2,2-trifluoroacetic acid
CID 118742961
N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxan-4-amine;2,2,2-trifluoroacetic acid
CID 118742968
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine;2,2,2-trifluoroacetic acid
CID 118742970
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid
CID 118742978
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1-(oxan-4-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 118745791
N-[[(7R)-2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,2-difluoroacetamide
CID 129556481

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide (CID 131683104) is 3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide is COCCn1cc2c(n1)C(CNC(=O)C1CC(F)(F)C1)OCC2.
What is the InChIKey of 3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide?
The InChIKey is BBDAEFUJGWBAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O3/c1-22-5-3-20-9-10-2-4-23-12(13(10)19-20)8-18-14(21)11-6-15(16,17)7-11/h9,11-12H,2-8H2,1H3,(H,18,21).
What are the key properties of 3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide?
3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 131683104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).