3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide

C17H19N5O4 — CID 131945047

IUPAC3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2nc(C)c(C(C)=O)c2C)c2nonc12
InChIInChI=1S/C17H19N5O4/c1-9-15(11(3)23)10(2)22(19-9)8-7-14(24)18-12-5-6-13(25-4)17-16(12)20-26-21-17/h5-6H,7-8H2,1-4H3,(H,18,24)
InChIKeyIHJFIUDHADRVPV-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.28
Rot. Bonds6

About 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide (PubChem CID 131945047) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide.

Molecular Properties

Compound Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide
PubChem CID131945047
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2nc(C)c(C(C)=O)c2C)c2nonc12
InChIInChI=1S/C17H19N5O4/c1-9-15(11(3)23)10(2)22(19-9)8-7-14(24)18-12-5-6-13(25-4)17-16(12)20-26-21-17/h5-6H,7-8H2,1-4H3,(H,18,24)
InChIKeyIHJFIUDHADRVPV-UHFFFAOYSA-N
XLogP2.28
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-ethylsulfanylphenyl)propanamide
CID 131931054
N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 131938174
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 131934663
N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 46345046
1-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 62726492
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794622
3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 50794574
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone
CID 55110817
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(2-amino-3-pyridinyl)methyl]propanamide
CID 122564036
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19561563
(3S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide
CID 7263462
N-(5-amino-2-methoxyphenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide
CID 62351959

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide?
The IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide (CID 131945047) is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide.
What is the SMILES notation for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide?
The canonical SMILES for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide is COc1ccc(NC(=O)CCn2nc(C)c(C(C)=O)c2C)c2nonc12.
What is the InChIKey of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide?
The InChIKey is IHJFIUDHADRVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-9-15(11(3)23)10(2)22(19-9)8-7-14(24)18-12-5-6-13(25-4)17-16(12)20-26-21-17/h5-6H,7-8H2,1-4H3,(H,18,24).
What are the key properties of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide?
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide has a molecular weight of 357.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2,1,3-benzoxadiazol-7-yl)propanamide is sourced from PubChem (CID 131945047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).