N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide

C19H19N3O2 — CID 32639224

IUPACN-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCOCc1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C19H19N3O2/c1-24-14-15-6-5-7-17(10-15)21-19(23)11-16-12-20-22(13-16)18-8-3-2-4-9-18/h2-10,12-13H,11,14H2,1H3,(H,21,23)
InChIKeyAUSWFDHJMGJVGQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.20
Rot. Bonds6

About N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 32639224) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID32639224
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCOCc1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C19H19N3O2/c1-24-14-15-6-5-7-17(10-15)21-19(23)11-16-12-20-22(13-16)18-8-3-2-4-9-18/h2-10,12-13H,11,14H2,1H3,(H,21,23)
InChIKeyAUSWFDHJMGJVGQ-UHFFFAOYSA-N
XLogP3.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 86988677
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46666185
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961933
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16621443
1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560167
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 56582430
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 36677114
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 26288105

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 32639224) is N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide is COCc1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is AUSWFDHJMGJVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-14-15-6-5-7-17(10-15)21-19(23)11-16-12-20-22(13-16)18-8-3-2-4-9-18/h2-10,12-13H,11,14H2,1H3,(H,21,23).
What are the key properties of N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 32639224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).