2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile

C19H15N5O2 — CID 122249025

IUPAC2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C19H15N5O2/c20-10-14-7-4-8-21-18(14)26-15-11-24(12-15)19(25)17-9-16(22-23-17)13-5-2-1-3-6-13/h1-9,15H,11-12H2,(H,22,23)
InChIKeyZZDACHSNOCDGCQ-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.25
Rot. Bonds4

About 2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile

2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122249025) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122249025
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C19H15N5O2/c20-10-14-7-4-8-21-18(14)26-15-11-24(12-15)19(25)17-9-16(22-23-17)13-5-2-1-3-6-13/h1-9,15H,11-12H2,(H,22,23)
InChIKeyZZDACHSNOCDGCQ-UHFFFAOYSA-N
XLogP2.25
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-phenyl-1H-pyrazol-5-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247037
2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249084
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90636845
2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249005
2-[1-(4-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249124
2-[1-(furan-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249180
2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249236
2-[1-(4-tert-butylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249089
2-[1-(5-bromofuran-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249181
2-[1-(2,5-dimethylfuran-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249209
2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249102
ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 122249189

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122249025) is 2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile is N#Cc1cccnc1OC1CN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of 2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is ZZDACHSNOCDGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c20-10-14-7-4-8-21-18(14)26-15-11-24(12-15)19(25)17-9-16(22-23-17)13-5-2-1-3-6-13/h1-9,15H,11-12H2,(H,22,23).
What are the key properties of 2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 345.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122249025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).