ethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate

C19H16ClFN2O3 — CID 58277462

IUPACethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C19H16ClFN2O3/c1-3-26-19(24)17-11-18(12-5-4-6-14(9-12)25-2)23(22-17)13-7-8-16(21)15(20)10-13/h4-11H,3H2,1-2H3
InChIKeySFUHYANICWMOGF-UHFFFAOYSA-N
MW374.80 g/mol
LogP4.52
Rot. Bonds5

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

ethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate (PubChem CID 58277462) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is ethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate
PubChem CID58277462
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Nameethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C19H16ClFN2O3/c1-3-26-19(24)17-11-18(12-5-4-6-14(9-12)25-2)23(22-17)13-7-8-16(21)15(20)10-13/h4-11H,3H2,1-2H3
InChIKeySFUHYANICWMOGF-UHFFFAOYSA-N
XLogP4.52
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate (CID 58277462) is ethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of ethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate?
The InChIKey is SFUHYANICWMOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-3-26-19(24)17-11-18(12-5-4-6-14(9-12)25-2)23(22-17)13-7-8-16(21)15(20)10-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate?
ethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate has a molecular weight of 374.80 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-chloro-4-fluorophenyl)-5-(3-methoxyphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 58277462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).