5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol

C16H15N3O3 — CID 86185538

IUPAC5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol
SMILESCC1=NN(c2ccc([N+](=O)[O-])cc2)C(O)(c2ccccc2)C1
InChIInChI=1S/C16H15N3O3/c1-12-11-16(20,13-5-3-2-4-6-13)18(17-12)14-7-9-15(10-8-14)19(21)22/h2-10,20H,11H2,1H3
InChIKeyFWGIOMWXYFKLQL-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.03
Rot. Bonds3

About 5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol

5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol (PubChem CID 86185538) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol.

Molecular Properties

Compound Name5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol
PubChem CID86185538
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol
SMILESCC1=NN(c2ccc([N+](=O)[O-])cc2)C(O)(c2ccccc2)C1
InChIInChI=1S/C16H15N3O3/c1-12-11-16(20,13-5-3-2-4-6-13)18(17-12)14-7-9-15(10-8-14)19(21)22/h2-10,20H,11H2,1H3
InChIKeyFWGIOMWXYFKLQL-UHFFFAOYSA-N
XLogP3.03
TPSA78.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(5R)-3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone
CID 713961
[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone
CID 2885036
(3-bromophenyl)-[(5R)-5-hydroxy-3-methyl-5-(4-nitrophenyl)-4H-pyrazol-1-yl]methanone
CID 40513548
1-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone
CID 5347861
3-methyl-5-(4-nitrophenyl)-4H-1,2-oxazol-5-ol
CID 5185606
[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-phenylmethanone
CID 781848
1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one
CID 713990
2-[(5S)-5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-1-phenylethanone
CID 1048005
(3-ethylidene-5-hydroxy-5-phenylpyrazolidin-1-yl)-(4-nitrophenyl)methanone
CID 5087255
(3S)-3-hydroxy-2-(4-nitrophenyl)-3-phenylisoindol-1-one
CID 40548725
[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
CID 40523005
1-[(5R)-5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenylpropan-1-one
CID 1050391

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol?
The IUPAC name of 5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol (CID 86185538) is 5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol.
What is the SMILES notation for 5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol?
The canonical SMILES for 5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol is CC1=NN(c2ccc([N+](=O)[O-])cc2)C(O)(c2ccccc2)C1.
What is the InChIKey of 5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol?
The InChIKey is FWGIOMWXYFKLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-12-11-16(20,13-5-3-2-4-6-13)18(17-12)14-7-9-15(10-8-14)19(21)22/h2-10,20H,11H2,1H3.
What are the key properties of 5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol?
5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol has a molecular weight of 297.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol is sourced from PubChem (CID 86185538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).