N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide

C22H20FN5O2 — CID 86885371

IUPACN-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
SMILESCCc1noc(-c2ccc(CCNC(=O)c3cnn(-c4ccccc4F)c3)cc2)n1
InChIInChI=1S/C22H20FN5O2/c1-2-20-26-22(30-27-20)16-9-7-15(8-10-16)11-12-24-21(29)17-13-25-28(14-17)19-6-4-3-5-18(19)23/h3-10,13-14H,2,11-12H2,1H3,(H,24,29)
InChIKeyXSTCWFUSTGRLDS-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.60
Rot. Bonds7

About N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide

N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 86885371) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
PubChem CID86885371
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
SMILESCCc1noc(-c2ccc(CCNC(=O)c3cnn(-c4ccccc4F)c3)cc2)n1
InChIInChI=1S/C22H20FN5O2/c1-2-20-26-22(30-27-20)16-9-7-15(8-10-16)11-12-24-21(29)17-13-25-28(14-17)19-6-4-3-5-18(19)23/h3-10,13-14H,2,11-12H2,1H3,(H,24,29)
InChIKeyXSTCWFUSTGRLDS-UHFFFAOYSA-N
XLogP3.60
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide (CID 86885371) is N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide is CCc1noc(-c2ccc(CCNC(=O)c3cnn(-c4ccccc4F)c3)cc2)n1.
What is the InChIKey of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is XSTCWFUSTGRLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-2-20-26-22(30-27-20)16-9-7-15(8-10-16)11-12-24-21(29)17-13-25-28(14-17)19-6-4-3-5-18(19)23/h3-10,13-14H,2,11-12H2,1H3,(H,24,29).
What are the key properties of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide?
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86885371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).