ethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate

C19H17BrN2O3 — CID 52951154

IUPACethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C19H17BrN2O3/c1-3-25-19(23)17-12-18(13-7-9-16(24-2)10-8-13)22(21-17)15-6-4-5-14(20)11-15/h4-12H,3H2,1-2H3
InChIKeyJKFFHLZPBZHOSE-UHFFFAOYSA-N
MW401.26 g/mol
LogP4.49
Rot. Bonds5

About ethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate

ethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate (PubChem CID 52951154) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is ethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate
PubChem CID52951154
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Nameethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C19H17BrN2O3/c1-3-25-19(23)17-12-18(13-7-9-16(24-2)10-8-13)22(21-17)15-6-4-5-14(20)11-15/h4-12H,3H2,1-2H3
InChIKeyJKFFHLZPBZHOSE-UHFFFAOYSA-N
XLogP4.49
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 166610813
ethyl 1-(4-methoxyphenyl)-5-[3-(2-methylbutanoylamino)phenyl]pyrazole-3-carboxylate
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CID 46094367
ethyl 5-(3-bromophenyl)-1-methylpyrazole-3-carboxylate
CID 57428257
ethyl 1-(4-methoxyphenyl)-5-[3-(3-methylbutanoylamino)phenyl]pyrazole-3-carboxylate
CID 46094256
ethyl 5-[4-[4-(3-cyanobenzoyl)piperazin-1-yl]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 46093276
ethyl 5-(4-bromophenyl)-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate
CID 46082509
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
CID 11370315
ethyl 1-(3-bromophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate
CID 7386837
ethyl 5-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 46094395

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate (CID 52951154) is ethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2cccc(Br)c2)n1.
What is the InChIKey of ethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate?
The InChIKey is JKFFHLZPBZHOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-3-25-19(23)17-12-18(13-7-9-16(24-2)10-8-13)22(21-17)15-6-4-5-14(20)11-15/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate?
ethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate has a molecular weight of 401.26 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 52951154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).