[4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone

C18H16N4O — CID 72897730

IUPAC[4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CC(c2ccccn2)C1
InChIInChI=1S/C18H16N4O/c23-18(22-11-15(12-22)16-3-1-2-9-19-16)14-6-4-13(5-7-14)17-8-10-20-21-17/h1-10,15H,11-12H2,(H,20,21)
InChIKeyZOZVSPGQUQSCAK-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.71
Rot. Bonds3

About [4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone

[4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone (PubChem CID 72897730) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is [4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone
PubChem CID72897730
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name[4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CC(c2ccccn2)C1
InChIInChI=1S/C18H16N4O/c23-18(22-11-15(12-22)16-3-1-2-9-19-16)14-6-4-13(5-7-14)17-8-10-20-21-17/h1-10,15H,11-12H2,(H,20,21)
InChIKeyZOZVSPGQUQSCAK-UHFFFAOYSA-N
XLogP2.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72928198
[(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97150781
[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95124482
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
(1S,5R)-6-propyl-3-[4-(1H-pyrazol-5-yl)benzoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 74237540
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 74244859
(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72838770
[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97112655
1-piperidin-1-yl-2-[4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-1-yl]ethanone
CID 72935900
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95730053
[4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 72905498
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 50956041

Frequently Asked Questions

What is the IUPAC name of [4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The IUPAC name of [4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone (CID 72897730) is [4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for [4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The canonical SMILES for [4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone is O=C(c1ccc(-c2ccn[nH]2)cc1)N1CC(c2ccccn2)C1.
What is the InChIKey of [4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The InChIKey is ZOZVSPGQUQSCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(22-11-15(12-22)16-3-1-2-9-19-16)14-6-4-13(5-7-14)17-8-10-20-21-17/h1-10,15H,11-12H2,(H,20,21).
What are the key properties of [4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
[4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-pyrazol-5-yl)phenyl]-(3-pyridin-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 72897730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).