(3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

C15H23N3O3 — CID 146100395

IUPAC(3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESCCC1(O)CN(C(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)C1
InChIInChI=1S/C15H23N3O3/c1-5-15(20)7-18(8-15)14(19)13-11-6-9(2)21-10(3)12(11)16-17(13)4/h9-10,20H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyUVFOVBLTOWAQBZ-ZJUUUORDSA-N
MW293.37 g/mol
LogP1.04
Rot. Bonds2

About (3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

(3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (PubChem CID 146100395) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
PubChem CID146100395
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESCCC1(O)CN(C(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)C1
InChIInChI=1S/C15H23N3O3/c1-5-15(20)7-18(8-15)14(19)13-11-6-9(2)21-10(3)12(11)16-17(13)4/h9-10,20H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyUVFOVBLTOWAQBZ-ZJUUUORDSA-N
XLogP1.04
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100536
(5R,7S)-N-[(1-hydroxycyclobutyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100387
[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146093390
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146076388
4-[4-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]piperazin-1-yl]benzonitrile
CID 167842284
2-[1-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]azetidin-3-yl]-1H-pyrimidin-6-one
CID 146093569
[4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146093333
(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100556
[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146110924
(5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 154794803
(4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100159
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 146100288

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The IUPAC name of (3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (CID 146100395) is (3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.
What is the SMILES notation for (3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The canonical SMILES for (3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is CCC1(O)CN(C(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)C1.
What is the InChIKey of (3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The InChIKey is UVFOVBLTOWAQBZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-15(20)7-18(8-15)14(19)13-11-6-9(2)21-10(3)12(11)16-17(13)4/h9-10,20H,5-8H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
(3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone has a molecular weight of 293.37 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is sourced from PubChem (CID 146100395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).