ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate

C15H17FN2O3 — CID 81494829

IUPACethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)c(F)cc2C(C)O)c1
InChIInChI=1S/C15H17FN2O3/c1-4-21-15(20)11-7-17-18(8-11)14-5-9(2)13(16)6-12(14)10(3)19/h5-8,10,19H,4H2,1-3H3
InChIKeyNHUHEFXKBGTCHG-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.55
Rot. Bonds4

About ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate

ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate (PubChem CID 81494829) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate
PubChem CID81494829
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Nameethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)c(F)cc2C(C)O)c1
InChIInChI=1S/C15H17FN2O3/c1-4-21-15(20)11-7-17-18(8-11)14-5-9(2)13(16)6-12(14)10(3)19/h5-8,10,19H,4H2,1-3H3
InChIKeyNHUHEFXKBGTCHG-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-Ethoxycarbonyl-3-(2-methylpropyl)pyrazol-1-yl]benzoic acid
CID 134156629
Benzyl 1-phenylpyrazole-4-carboxylate
CID 25558608
Ethyl 1-[2-fluoro-6-(hydroxymethyl)phenyl]-3-methyl-pyrazole-4-carboxylate
CID 67168143
Ethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methyl-pyrazole-4-carboxylate
CID 67168434
2-[4-Ethoxycarbonyl-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 83401224
(1R)-2,2,2-trifluoro-1-[4-methyl-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 117952278
1-[3-[2-(Hydroxymethyl)-5-methylcyclohexen-1-yl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 118626286
(1S)-1-[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]ethanol
CID 126760559
Ethyl 1-[3-[2-(hydroxymethyl)-5-methylcyclohexen-1-yl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 130209407
1-(5-Methoxy-5,6-dihydronaphthalen-1-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 135132305
1-[2-Fluoro-6-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxylic acid
CID 141297444
Ethyl 1-[3-[fluoro(hydroxy)methyl]phenyl]-3-methylpyrazole-4-carboxylate
CID 142790119

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate (CID 81494829) is ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(C)c(F)cc2C(C)O)c1.
What is the InChIKey of ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate?
The InChIKey is NHUHEFXKBGTCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-4-21-15(20)11-7-17-18(8-11)14-5-9(2)13(16)6-12(14)10(3)19/h5-8,10,19H,4H2,1-3H3.
What are the key properties of ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate?
ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate has a molecular weight of 292.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 81494829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).