ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate

C14H15FN2O3 — CID 102877159

IUPACethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2ccc(OC)cc2F)c1
InChIInChI=1S/C14H15FN2O3/c1-3-20-14(18)11-7-16-17(9-11)8-10-4-5-12(19-2)6-13(10)15/h4-7,9H,3,8H2,1-2H3
InChIKeyLCRAPJCKBFAYOO-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.26
Rot. Bonds5

About ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate

ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate (PubChem CID 102877159) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate
PubChem CID102877159
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Nameethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2ccc(OC)cc2F)c1
InChIInChI=1S/C14H15FN2O3/c1-3-20-14(18)11-7-16-17(9-11)8-10-4-5-12(19-2)6-13(10)15/h4-7,9H,3,8H2,1-2H3
InChIKeyLCRAPJCKBFAYOO-UHFFFAOYSA-N
XLogP2.26
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(3,4,5-trifluorophenyl)methyl]pyrazole-4-carboxylate
CID 170757143
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole
CID 102878282
ethyl 1-[(3-amino-2-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 107347740
ethyl 1-[(2-cyano-5-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 107905461
ethyl 1-[(2-chloro-6-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 79970020
ethyl 1-[(2-aminophenyl)methyl]pyrazole-4-carboxylate
CID 81498202
ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491
ethyl 1-[(2-amino-6-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 81498624
3-[(4-ethoxycarbonylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 81497778
ethyl 1-[[4-(iodomethoxy)phenyl]methyl]pyrazole-4-carboxylate
CID 166964963
1-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-one
CID 65327267
4-[(4-ethoxycarbonylpyrazol-1-yl)methyl]benzoic acid
CID 58081217

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate (CID 102877159) is ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(Cc2ccc(OC)cc2F)c1.
What is the InChIKey of ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate?
The InChIKey is LCRAPJCKBFAYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-3-20-14(18)11-7-16-17(9-11)8-10-4-5-12(19-2)6-13(10)15/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate?
ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate has a molecular weight of 278.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 102877159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).