N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide

C19H21FN4O2 — CID 91833788

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide
SMILESCCc1cc(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)on1
InChIInChI=1S/C19H21FN4O2/c1-5-15-10-17(26-22-15)11-23(4)19(25)18-12(2)21-24(13(18)3)16-8-6-14(20)7-9-16/h6-10H,5,11H2,1-4H3
InChIKeyCADMZLIBGJONCJ-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.45
Rot. Bonds5

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 91833788) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide
PubChem CID91833788
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide
SMILESCCc1cc(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)on1
InChIInChI=1S/C19H21FN4O2/c1-5-15-10-17(26-22-15)11-23(4)19(25)18-12(2)21-24(13(18)3)16-8-6-14(20)7-9-16/h6-10H,5,11H2,1-4H3
InChIKeyCADMZLIBGJONCJ-UHFFFAOYSA-N
XLogP3.45
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide (CID 91833788) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide is CCc1cc(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is CADMZLIBGJONCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-5-15-10-17(26-22-15)11-23(4)19(25)18-12(2)21-24(13(18)3)16-8-6-14(20)7-9-16/h6-10H,5,11H2,1-4H3.
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 91833788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).