N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide

C14H15N3O3 — CID 84591726

IUPACN-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCOc1ccc(C(=O)CNC(=O)Cc2ccn[nH]2)cc1
InChIInChI=1S/C14H15N3O3/c1-20-12-4-2-10(3-5-12)13(18)9-15-14(19)8-11-6-7-16-17-11/h2-7H,8-9H2,1H3,(H,15,19)(H,16,17)
InChIKeyVUPPEUVHGJKOAK-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.96
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide

N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 84591726) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID84591726
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCOc1ccc(C(=O)CNC(=O)Cc2ccn[nH]2)cc1
InChIInChI=1S/C14H15N3O3/c1-20-12-4-2-10(3-5-12)13(18)9-15-14(19)8-11-6-7-16-17-11/h2-7H,8-9H2,1H3,(H,15,19)(H,16,17)
InChIKeyVUPPEUVHGJKOAK-UHFFFAOYSA-N
XLogP0.96
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94262490
2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide
CID 108798758
methyl 2-(1H-pyrazol-5-yl)acetate
CID 50989154
4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide
CID 55840954
2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide
CID 112528731
N-(3-naphthalen-2-yloxypropyl)-2-(1H-pyrazol-5-yl)acetamide
CID 71917237
N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide
CID 84575732
N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide
CID 71708879
ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate
CID 79040354
N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
CID 79026363
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270
N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide
CID 58597503

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide (CID 84591726) is N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide is COc1ccc(C(=O)CNC(=O)Cc2ccn[nH]2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is VUPPEUVHGJKOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-12-4-2-10(3-5-12)13(18)9-15-14(19)8-11-6-7-16-17-11/h2-7H,8-9H2,1H3,(H,15,19)(H,16,17).
What are the key properties of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide?
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 273.29 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 84591726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).