[4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone

C19H16N2O4 — CID 135413871

IUPAC[4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2[nH]nc(C(=O)c3ccc(C)cc3)c2O)cc1
InChIInChI=1S/C19H16N2O4/c1-11-3-5-12(6-4-11)17(22)15-19(24)16(21-20-15)18(23)13-7-9-14(25-2)10-8-13/h3-10,24H,1-2H3,(H,20,21)
InChIKeyQHLZEJWFCAEVBG-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.89
Rot. Bonds5

About [4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone

[4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone (PubChem CID 135413871) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is [4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone
PubChem CID135413871
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name[4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2[nH]nc(C(=O)c3ccc(C)cc3)c2O)cc1
InChIInChI=1S/C19H16N2O4/c1-11-3-5-12(6-4-11)17(22)15-19(24)16(21-20-15)18(23)13-7-9-14(25-2)10-8-13/h3-10,24H,1-2H3,(H,20,21)
InChIKeyQHLZEJWFCAEVBG-UHFFFAOYSA-N
XLogP2.89
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
benzene-1,4-diol;bis(4-fluorophenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone
CID 158296808
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
[5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone
CID 101218684
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
[4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone
CID 53483562
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenyl]phenyl]ethanone
CID 158374432
(4-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone (CID 135413871) is [4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2[nH]nc(C(=O)c3ccc(C)cc3)c2O)cc1.
What is the InChIKey of [4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone?
The InChIKey is QHLZEJWFCAEVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11-3-5-12(6-4-11)17(22)15-19(24)16(21-20-15)18(23)13-7-9-14(25-2)10-8-13/h3-10,24H,1-2H3,(H,20,21).
What are the key properties of [4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone?
[4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone has a molecular weight of 336.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 135413871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).