ethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate

C13H16N2O3 — CID 2885046

IUPACethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate
SMILESCCOC(=O)N1N=C(C)CC1(O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c1-3-18-12(16)15-13(17,9-10(2)14-15)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3
InChIKeyCNMUPARWXWVKCR-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.07
Rot. Bonds2

About ethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate

ethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate (PubChem CID 2885046) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is ethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate
PubChem CID2885046
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nameethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate
SMILESCCOC(=O)N1N=C(C)CC1(O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c1-3-18-12(16)15-13(17,9-10(2)14-15)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3
InChIKeyCNMUPARWXWVKCR-UHFFFAOYSA-N
XLogP2.07
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 5-(4-chlorophenyl)-5-hydroxy-3-methyl-2-pyrazolinecarboxylate
CID 2857894
3-(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanenitrile
CID 2987162
1-[5-(4-fluorophenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one
CID 4651837
1-(5-Hydroxy-3-methyl-5-phenyl-4,5-dihydro-pyrazol-1-yl)-3-phenyl-propan-1-one
CID 570461
methyl 5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazole-1-carboxylate
CID 2933324
1-(cyclohexylcarbonyl)-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 6461275
3-[5-(4-fluorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-3-oxopropanenitrile
CID 2980193
ethyl 5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
CID 171980077
1H-Pyrazol-5-ol, 4,5-dihydro-3-methyl-1-(1-oxopropyl)-5-phenyl-
CID 569622
1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone
CID 102387868
1-(5-Hydroxy-3-methyl-5-phenyl-4,5-dihydro-1h-pyrazol-1-yl)-3-sulfanylpropan-1-one
CID 129752834
1-(5-Hydroxy-3-methyl-5-phenyl-4,5-dihydro-1h-pyrazol-1-yl)-2-sulfanylethan-1-one
CID 129753400

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate?
The IUPAC name of ethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate (CID 2885046) is ethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate is CCOC(=O)N1N=C(C)CC1(O)c1ccccc1.
What is the InChIKey of ethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate?
The InChIKey is CNMUPARWXWVKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-18-12(16)15-13(17,9-10(2)14-15)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate?
ethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carboxylate is sourced from PubChem (CID 2885046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).