N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide

C16H19N3O3 — CID 71708879

IUPACN-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide
SMILESCOc1ccc(C(=O)CNC(=O)CCCn2cccn2)cc1
InChIInChI=1S/C16H19N3O3/c1-22-14-7-5-13(6-8-14)15(20)12-17-16(21)4-2-10-19-11-3-9-18-19/h3,5-9,11H,2,4,10,12H2,1H3,(H,17,21)
InChIKeyVORDCROBVXNWNX-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.67
Rot. Bonds8

About N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide

N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide (PubChem CID 71708879) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide
PubChem CID71708879
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide
SMILESCOc1ccc(C(=O)CNC(=O)CCCn2cccn2)cc1
InChIInChI=1S/C16H19N3O3/c1-22-14-7-5-13(6-8-14)15(20)12-17-16(21)4-2-10-19-11-3-9-18-19/h3,5-9,11H,2,4,10,12H2,1H3,(H,17,21)
InChIKeyVORDCROBVXNWNX-UHFFFAOYSA-N
XLogP1.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394128
4-[(4-pyrazol-1-ylbutanoylamino)methyl]benzoic acid
CID 119353286
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108807760
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94262490
2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115579282
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
CID 17386104
3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19508977
5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 55963096
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 84591726
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 71704706
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 135098669

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide (CID 71708879) is N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide is COc1ccc(C(=O)CNC(=O)CCCn2cccn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is VORDCROBVXNWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-22-14-7-5-13(6-8-14)15(20)12-17-16(21)4-2-10-19-11-3-9-18-19/h3,5-9,11H,2,4,10,12H2,1H3,(H,17,21).
What are the key properties of N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide?
N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 301.35 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 71708879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).