[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone

C19H17ClN4O2 — CID 122247852

IUPAC[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CC(Oc3ncccc3Cl)C2)cnn1-c1ccccc1
InChIInChI=1S/C19H17ClN4O2/c1-13-16(10-22-24(13)14-6-3-2-4-7-14)19(25)23-11-15(12-23)26-18-17(20)8-5-9-21-18/h2-10,15H,11-12H2,1H3
InChIKeyOTPQSPYVFVBBHC-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.13
Rot. Bonds4

About [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone

[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 122247852) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
PubChem CID122247852
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CC(Oc3ncccc3Cl)C2)cnn1-c1ccccc1
InChIInChI=1S/C19H17ClN4O2/c1-13-16(10-22-24(13)14-6-3-2-4-7-14)19(25)23-11-15(12-23)26-18-17(20)8-5-9-21-18/h2-10,15H,11-12H2,1H3
InChIKeyOTPQSPYVFVBBHC-UHFFFAOYSA-N
XLogP3.13
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1-phenylpyrazol-4-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257217
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 122248008
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 122247943
(3-methoxypyrrolidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 108730568
(2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122247840
(5-methyl-1-phenylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260701
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 122160997
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 119412099
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone
CID 122247908
(2-chlorophenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247119
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 122248013

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone (CID 122247852) is [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone is Cc1c(C(=O)N2CC(Oc3ncccc3Cl)C2)cnn1-c1ccccc1.
What is the InChIKey of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is OTPQSPYVFVBBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-13-16(10-22-24(13)14-6-3-2-4-7-14)19(25)23-11-15(12-23)26-18-17(20)8-5-9-21-18/h2-10,15H,11-12H2,1H3.
What are the key properties of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 368.82 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 122247852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).