[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone

C18H18N2O3 — CID 11836338

IUPAC[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
SMILESCOc1ccc(C2(O)CC(C)=NN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-13-12-18(22,15-8-10-16(23-2)11-9-15)20(19-13)17(21)14-6-4-3-5-7-14/h3-11,22H,12H2,1-2H3
InChIKeyFSTGCQCLBJRZKR-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.76
Rot. Bonds3

About [5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone

[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone (PubChem CID 11836338) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
PubChem CID11836338
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
SMILESCOc1ccc(C2(O)CC(C)=NN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-13-12-18(22,15-8-10-16(23-2)11-9-15)20(19-13)17(21)14-6-4-3-5-7-14/h3-11,22H,12H2,1-2H3
InChIKeyFSTGCQCLBJRZKR-UHFFFAOYSA-N
XLogP2.76
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-phenylmethanone
CID 781848
[(5S)-5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 1387344
1-[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone
CID 101042440
(4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2884136
(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
CID 2845042
[(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
CID 768635
[(5R)-5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-hydroxyphenyl)methanone
CID 780777
1-[(5S)-5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone
CID 1275752
2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone
CID 126367318
[(5R)-5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 1142415
ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(4-methoxybenzoyl)-4H-pyrazole-3-carboxylate
CID 15944881
(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
CID 571594

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone?
The IUPAC name of [5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone (CID 11836338) is [5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone is COc1ccc(C2(O)CC(C)=NN2C(=O)c2ccccc2)cc1.
What is the InChIKey of [5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone?
The InChIKey is FSTGCQCLBJRZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13-12-18(22,15-8-10-16(23-2)11-9-15)20(19-13)17(21)14-6-4-3-5-7-14/h3-11,22H,12H2,1-2H3.
What are the key properties of [5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone?
[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone has a molecular weight of 310.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 11836338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).