ethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate

C15H15BrF2N2O2 — CID 24729130

IUPACethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate
SMILESCCCc1nn(-c2ccc(F)cc2F)c(C(=O)OCC)c1Br
InChIInChI=1S/C15H15BrF2N2O2/c1-3-5-11-13(16)14(15(21)22-4-2)20(19-11)12-7-6-9(17)8-10(12)18/h6-8H,3-5H2,1-2H3
InChIKeyQTSBDIVRSZZIHD-UHFFFAOYSA-N
MW373.20 g/mol
LogP4.04
Rot. Bonds5

About ethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate

ethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate (PubChem CID 24729130) has the molecular formula C15H15BrF2N2O2 and a molecular weight of 373.20 g/mol. Its IUPAC name is ethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate
PubChem CID24729130
Molecular FormulaC15H15BrF2N2O2
Molecular Weight373.20 g/mol
Exact Mass372.03
IUPAC Nameethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate
SMILESCCCc1nn(-c2ccc(F)cc2F)c(C(=O)OCC)c1Br
InChIInChI=1S/C15H15BrF2N2O2/c1-3-5-11-13(16)14(15(21)22-4-2)20(19-11)12-7-6-9(17)8-10(12)18/h6-8H,3-5H2,1-2H3
InChIKeyQTSBDIVRSZZIHD-UHFFFAOYSA-N
XLogP4.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid
CID 24729049
ethyl 3-(2,4-difluorophenyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate
CID 67030041
ethyl 3-(2,4-difluorophenyl)-10-methyl-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carboxylate
CID 59450302
5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde
CID 43145574
1-(2,4-difluorophenyl)-5-propyltriazol-4-amine
CID 79502072
3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one
CID 82421541
2-[1-(2,4-difluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62408163
2-[1-(2,4-difluorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 79220410
ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate
CID 19820205
ethyl 4-chloro-1-(2,5-difluorophenyl)pyrazole-3-carboxylate
CID 155291590
ethyl 1-(5-bromo-2,4-difluorophenyl)-4-oxopyridazine-3-carboxylate
CID 102855148
ethyl 1-(4-bromo-2-fluorophenyl)-4-oxopyridazine-3-carboxylate
CID 63950828

Frequently Asked Questions

What is the IUPAC name of ethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate?
The IUPAC name of ethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate (CID 24729130) is ethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate is CCCc1nn(-c2ccc(F)cc2F)c(C(=O)OCC)c1Br.
What is the InChIKey of ethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate?
The InChIKey is QTSBDIVRSZZIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2O2/c1-3-5-11-13(16)14(15(21)22-4-2)20(19-11)12-7-6-9(17)8-10(12)18/h6-8H,3-5H2,1-2H3.
What are the key properties of ethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate?
ethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate has a molecular weight of 373.20 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate is sourced from PubChem (CID 24729130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).