N-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide

C18H15ClFN3O — CID 90724508

IUPACN-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C18H15ClFN3O/c19-15-3-1-2-13(10-15)8-9-21-18(24)14-11-22-23(12-14)17-6-4-16(20)5-7-17/h1-7,10-12H,8-9H2,(H,21,24)
InChIKeyFOFURWDBCITTCF-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.64
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 90724508) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
PubChem CID90724508
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C18H15ClFN3O/c19-15-3-1-2-13(10-15)8-9-21-18(24)14-11-22-23(12-14)17-6-4-16(20)5-7-17/h1-7,10-12H,8-9H2,(H,21,24)
InChIKeyFOFURWDBCITTCF-UHFFFAOYSA-N
XLogP3.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide (CID 90724508) is N-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide is O=C(NCCc1cccc(Cl)c1)c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is FOFURWDBCITTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c19-15-3-1-2-13(10-15)8-9-21-18(24)14-11-22-23(12-14)17-6-4-16(20)5-7-17/h1-7,10-12H,8-9H2,(H,21,24).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 343.79 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90724508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).