[2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

C17H19N3O3 — CID 74232527

IUPAC[2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
SMILESCOc1cccc(C2CCN2C(=O)c2n[nH]c3c2COCC3)c1
InChIInChI=1S/C17H19N3O3/c1-22-12-4-2-3-11(9-12)15-5-7-20(15)17(21)16-13-10-23-8-6-14(13)18-19-16/h2-4,9,15H,5-8,10H2,1H3,(H,18,19)
InChIKeyFNXWSHPZAQQMGA-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.08
Rot. Bonds3

About [2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

[2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone (PubChem CID 74232527) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
PubChem CID74232527
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
SMILESCOc1cccc(C2CCN2C(=O)c2n[nH]c3c2COCC3)c1
InChIInChI=1S/C17H19N3O3/c1-22-12-4-2-3-11(9-12)15-5-7-20(15)17(21)16-13-10-23-8-6-14(13)18-19-16/h2-4,9,15H,5-8,10H2,1H3,(H,18,19)
InChIKeyFNXWSHPZAQQMGA-UHFFFAOYSA-N
XLogP2.08
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97454861
[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
CID 74232483
[2-(furan-2-yl)azepan-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 91842248
[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110631994
(2-anilinopyrimidin-5-yl)-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 72850472
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 95217455
3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498783
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95121040
(3S,8aR)-3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137337400
(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928860
(1,5-dimethylpyrrol-2-yl)-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928859
1H-benzimidazol-2-yl-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 126451843

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
The IUPAC name of [2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone (CID 74232527) is [2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone.
What is the SMILES notation for [2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
The canonical SMILES for [2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone is COc1cccc(C2CCN2C(=O)c2n[nH]c3c2COCC3)c1.
What is the InChIKey of [2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
The InChIKey is FNXWSHPZAQQMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-12-4-2-3-11(9-12)15-5-7-20(15)17(21)16-13-10-23-8-6-14(13)18-19-16/h2-4,9,15H,5-8,10H2,1H3,(H,18,19).
What are the key properties of [2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
[2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone has a molecular weight of 313.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone is sourced from PubChem (CID 74232527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).