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

C17H19N5O3 — CID 70760439

IUPACN-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCCN(Cc1nc(C)no1)C(=O)c1cc(-c2cccc(OC)c2)n[nH]1
InChIInChI=1S/C17H19N5O3/c1-4-22(10-16-18-11(2)21-25-16)17(23)15-9-14(19-20-15)12-6-5-7-13(8-12)24-3/h5-9H,4,10H2,1-3H3,(H,19,20)
InChIKeyDDLBIYVUCPDXEC-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.44
Rot. Bonds6

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

N-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 70760439) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID70760439
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCCN(Cc1nc(C)no1)C(=O)c1cc(-c2cccc(OC)c2)n[nH]1
InChIInChI=1S/C17H19N5O3/c1-4-22(10-16-18-11(2)21-25-16)17(23)15-9-14(19-20-15)12-6-5-7-13(8-12)24-3/h5-9H,4,10H2,1-3H3,(H,19,20)
InChIKeyDDLBIYVUCPDXEC-UHFFFAOYSA-N
XLogP2.44
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 131893636
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
CID 55563013
3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
N-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 19515494
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134220
3-(3-methoxyphenyl)-N-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 97115651
N-ethyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835940
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-methoxybenzamide
CID 6494677
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19294391
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propoxybenzamide
CID 8778966
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2,6-dimethoxybenzamide
CID 6494839

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide (CID 70760439) is N-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide is CCN(Cc1nc(C)no1)C(=O)c1cc(-c2cccc(OC)c2)n[nH]1.
What is the InChIKey of N-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DDLBIYVUCPDXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-4-22(10-16-18-11(2)21-25-16)17(23)15-9-14(19-20-15)12-6-5-7-13(8-12)24-3/h5-9H,4,10H2,1-3H3,(H,19,20).
What are the key properties of N-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
N-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70760439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).