ethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate

C19H17FN2O3 — CID 58277408

IUPACethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(F)c2)n(-c2cccc(OC)c2)n1
InChIInChI=1S/C19H17FN2O3/c1-3-25-19(23)17-12-18(13-6-4-7-14(20)10-13)22(21-17)15-8-5-9-16(11-15)24-2/h4-12H,3H2,1-2H3
InChIKeyHFTRMBKPSWUYNZ-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.86
Rot. Bonds5

About ethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate

ethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate (PubChem CID 58277408) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is ethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate
PubChem CID58277408
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Nameethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(F)c2)n(-c2cccc(OC)c2)n1
InChIInChI=1S/C19H17FN2O3/c1-3-25-19(23)17-12-18(13-6-4-7-14(20)10-13)22(21-17)15-8-5-9-16(11-15)24-2/h4-12H,3H2,1-2H3
InChIKeyHFTRMBKPSWUYNZ-UHFFFAOYSA-N
XLogP3.86
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 750186
TC Lpa5 4
CID 66552906
ethyl 5-(benzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate
CID 1251498
Ethyl 1-benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 15991002
ethyl 3-carbamoyl-1-(2''-(trifluoromethoxy)biphenyl-3-yl)-1H-pyrazole-5-carboxylate
CID 53322584
1-[[1-(4-Fluorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 90644399
5-(4-Ethoxyphenyl)-1-(4-phenoxyphenyl)pyrazole-3-carboxylic acid
CID 127047005
1-(4-Phenoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid
CID 127047006
methyl 1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylate
CID 17859014
ethyl 4-benzoyl-1-(2-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylate
CID 1234270
ethyl 4-benzoyl-1-(4-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylate
CID 1234273
ethyl 5-[(2-methoxybenzoyl)oxy]-1-phenyl-1H-pyrazole-3-carboxylate
CID 1256813

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate (CID 58277408) is ethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(F)c2)n(-c2cccc(OC)c2)n1.
What is the InChIKey of ethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate?
The InChIKey is HFTRMBKPSWUYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-3-25-19(23)17-12-18(13-6-4-7-14(20)10-13)22(21-17)15-8-5-9-16(11-15)24-2/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate?
ethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate has a molecular weight of 340.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-fluorophenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 58277408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).