(2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone

C13H17F2N3O3 — CID 146111263

IUPAC(2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(C(=O)N3CCOC(F)(F)C3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C13H17F2N3O3/c1-7-5-9-10(8(2)21-7)16-17-11(9)12(19)18-3-4-20-13(14,15)6-18/h7-8H,3-6H2,1-2H3,(H,16,17)/t7-,8+/m1/s1
InChIKeyLNUZOIRYPFPGPU-SFYZADRCSA-N
MW301.29 g/mol
LogP1.50
Rot. Bonds1

About (2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone

(2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone (PubChem CID 146111263) has the molecular formula C13H17F2N3O3 and a molecular weight of 301.29 g/mol. Its IUPAC name is (2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
PubChem CID146111263
Molecular FormulaC13H17F2N3O3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Name(2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(C(=O)N3CCOC(F)(F)C3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C13H17F2N3O3/c1-7-5-9-10(8(2)21-7)16-17-11(9)12(19)18-3-4-20-13(14,15)6-18/h7-8H,3-6H2,1-2H3,(H,16,17)/t7-,8+/m1/s1
InChIKeyLNUZOIRYPFPGPU-SFYZADRCSA-N
XLogP1.50
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 146115592
7-azaspiro[3.5]nonan-7-yl-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146103176
[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone
CID 146115520
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone
CID 167798377
(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146115488
(4-cyclopentylpiperidin-1-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146102963
[4-(azetidin-1-yl)-4-methylpiperidin-1-yl]-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101794
[3-(cyclopropylmethyl)azetidin-1-yl]-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111377
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[3-(trifluoromethoxy)azetidin-1-yl]methanone
CID 146111465
[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone
CID 146103051
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[3-(2-fluorophenyl)-3-hydroxyazetidin-1-yl]methanone
CID 146111203
(3-cycloheptylazetidin-1-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 167952286

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone?
The IUPAC name of (2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone (CID 146111263) is (2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone.
What is the SMILES notation for (2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone?
The canonical SMILES for (2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone is C[C@@H]1Cc2c(C(=O)N3CCOC(F)(F)C3)n[nH]c2[C@H](C)O1.
What is the InChIKey of (2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone?
The InChIKey is LNUZOIRYPFPGPU-SFYZADRCSA-N. The full InChI is InChI=1S/C13H17F2N3O3/c1-7-5-9-10(8(2)21-7)16-17-11(9)12(19)18-3-4-20-13(14,15)6-18/h7-8H,3-6H2,1-2H3,(H,16,17)/t7-,8+/m1/s1.
What are the key properties of (2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone?
(2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone has a molecular weight of 301.29 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 146111263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).