ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate

C12H10ClFN2O2 — CID 22228090

IUPACethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C12H10ClFN2O2/c1-2-18-12(17)10-7-15-16(11(10)13)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
InChIKeyLZIXVIYLNWXTHN-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.84
Rot. Bonds3

About ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate

ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate (PubChem CID 22228090) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
PubChem CID22228090
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC Nameethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C12H10ClFN2O2/c1-2-18-12(17)10-7-15-16(11(10)13)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
InChIKeyLZIXVIYLNWXTHN-UHFFFAOYSA-N
XLogP2.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 63234939
ethyl 5-chloro-1-(3-methylphenyl)pyrazole-4-carboxylate
CID 21289675
ethyl 1-(4-chlorophenyl)-5-(difluoromethyl)pyrazole-4-carboxylate
CID 63235067
ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate
CID 21289696
ethyl 5-chloro-1-(3-chloro-2-fluorophenyl)pyrazole-4-carboxylate
CID 170994647
ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 19839439
ethyl 1-(3-chloro-4-fluorophenyl)-5-methylpyrazole-4-carboxylate
CID 83401193
ethyl 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxylate
CID 79150341
ethyl 1-(3,4-dichlorophenyl)-5-(difluoromethyl)pyrazole-4-carboxylate
CID 63235195
ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
CID 86692424
ethyl 1-(4-fluorophenyl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyrazole-4-carboxylate
CID 3755116
ethyl 5-bromo-1-(4-bromophenyl)pyrazole-4-carboxylate
CID 53429357

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate (CID 22228090) is ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The InChIKey is LZIXVIYLNWXTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-2-18-12(17)10-7-15-16(11(10)13)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3.
What are the key properties of ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate?
ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate has a molecular weight of 268.68 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 22228090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).