ethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate

C15H18N2O3 — CID 134910085

IUPACethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)n[nH]c1CC(C)O
InChIInChI=1S/C15H18N2O3/c1-3-20-15(19)13-12(9-10(2)18)16-17-14(13)11-7-5-4-6-8-11/h4-8,10,18H,3,9H2,1-2H3,(H,16,17)
InChIKeyCAWRNZBSGYRRLW-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.18
Rot. Bonds5

About ethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate

ethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate (PubChem CID 134910085) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate
PubChem CID134910085
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)n[nH]c1CC(C)O
InChIInChI=1S/C15H18N2O3/c1-3-20-15(19)13-12(9-10(2)18)16-17-14(13)11-7-5-4-6-8-11/h4-8,10,18H,3,9H2,1-2H3,(H,16,17)
InChIKeyCAWRNZBSGYRRLW-UHFFFAOYSA-N
XLogP2.18
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-fluoro-5-(trifluoromethyl)phenyl]-5-propyl-1H-pyrazole-4-carboxylate
CID 172434157
ethyl 3-(2,6-difluorophenyl)-5-propyl-1H-pyrazole-4-carboxylate
CID 172436278
ethyl 3-(2,3-dimethylphenyl)-5-propyl-1H-pyrazole-4-carboxylate
CID 172438062
1H-Pyrazole-4-carboxylic acid, 3-(3,4,5,6-tetrafluoro-2-hydroxyphenyl)-5-methyl-, ethyl ester
CID 535558
3-Phenylacetyl-4-ethoxycarbonyl-5-methylpyrazole
CID 12337413
Methyl 5-methyl-3-phenyl-1H-pyrazole-4-carboxylate
CID 12914808
Ethyl 3-methyl-5-phenyl-1H-pyrazole-4-carboxylate
CID 12914809
methyl 5-benzyl-3-phenyl-1H-pyrazole-4-carboxylate
CID 135064485
methyl 3-(2-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 15593248
methyl 3-(3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 15593249
3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 54851263
ethyl 3-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 58752253

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate (CID 134910085) is ethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate is CCOC(=O)c1c(-c2ccccc2)n[nH]c1CC(C)O.
What is the InChIKey of ethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate?
The InChIKey is CAWRNZBSGYRRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-20-15(19)13-12(9-10(2)18)16-17-14(13)11-7-5-4-6-8-11/h4-8,10,18H,3,9H2,1-2H3,(H,16,17).
What are the key properties of ethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate?
ethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-hydroxypropyl)-3-phenyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 134910085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).