N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide

C17H18FN5O3 — CID 56742250

IUPACN-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCN(Cc1nc(C)no1)C(=O)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C17H18FN5O3/c1-3-23(9-16-19-11(2)22-26-16)17(24)14-8-12(20-21-14)10-25-15-7-5-4-6-13(15)18/h4-8H,3,9-10H2,1-2H3,(H,20,21)
InChIKeyGDAJZDRUDCQENU-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.48
Rot. Bonds7

About N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide

N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56742250) has the molecular formula C17H18FN5O3 and a molecular weight of 359.36 g/mol. Its IUPAC name is N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID56742250
Molecular FormulaC17H18FN5O3
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC NameN-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCN(Cc1nc(C)no1)C(=O)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C17H18FN5O3/c1-3-23(9-16-19-11(2)22-26-16)17(24)14-8-12(20-21-14)10-25-15-7-5-4-6-13(15)18/h4-8H,3,9-10H2,1-2H3,(H,20,21)
InChIKeyGDAJZDRUDCQENU-UHFFFAOYSA-N
XLogP2.48
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide (CID 56742250) is N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide is CCN(Cc1nc(C)no1)C(=O)c1cc(COc2ccccc2F)[nH]n1.
What is the InChIKey of N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is GDAJZDRUDCQENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O3/c1-3-23(9-16-19-11(2)22-26-16)17(24)14-8-12(20-21-14)10-25-15-7-5-4-6-13(15)18/h4-8H,3,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide?
N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 359.36 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56742250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).