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

C15H22FN3O3 — CID 131683140

IUPAC1-fluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide
SMILESCOCCn1cc2c(n1)C(CNC(=O)C1(F)CCC1)OCC2
InChIInChI=1S/C15H22FN3O3/c1-21-8-6-19-10-11-3-7-22-12(13(11)18-19)9-17-14(20)15(16)4-2-5-15/h10,12H,2-9H2,1H3,(H,17,20)
InChIKeyDGQSIHNTAYYIAA-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.15
Rot. Bonds6

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

1-fluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide (PubChem CID 131683140) has the molecular formula C15H22FN3O3 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-fluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide
PubChem CID131683140
Molecular FormulaC15H22FN3O3
Molecular Weight311.36 g/mol
Exact Mass311.16
IUPAC Name1-fluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide
SMILESCOCCn1cc2c(n1)C(CNC(=O)C1(F)CCC1)OCC2
InChIInChI=1S/C15H22FN3O3/c1-21-8-6-19-10-11-3-7-22-12(13(11)18-19)9-17-14(20)15(16)4-2-5-15/h10,12H,2-9H2,1H3,(H,17,20)
InChIKeyDGQSIHNTAYYIAA-UHFFFAOYSA-N
XLogP1.15
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-fluoro-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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Launch Full Analysis

Related Compounds

7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 118739203
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanesulfonamide
CID 118739300
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-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-[[(7S)-2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-3,3,3-trifluoropropanamide
CID 129557338

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-fluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide (CID 131683140) is 1-fluoro-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 1-fluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-fluoro-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)C1(F)CCC1)OCC2.
What is the InChIKey of 1-fluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide?
The InChIKey is DGQSIHNTAYYIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3/c1-21-8-6-19-10-11-3-7-22-12(13(11)18-19)9-17-14(20)15(16)4-2-5-15/h10,12H,2-9H2,1H3,(H,17,20).
What are the key properties of 1-fluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide?
1-fluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 131683140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).