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

C19H19N3O2 — CID 154877121

IUPAC2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCOCc1cccc(CC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C19H19N3O2/c1-24-13-15-4-2-3-14(9-15)10-19(23)22-18-7-5-16(6-8-18)17-11-20-21-12-17/h2-9,11-12H,10,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyLTOKSVFUTQZXGU-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.40
Rot. Bonds6

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

2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (PubChem CID 154877121) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
PubChem CID154877121
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCOCc1cccc(CC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C19H19N3O2/c1-24-13-15-4-2-3-14(9-15)10-19(23)22-18-7-5-16(6-8-18)17-11-20-21-12-17/h2-9,11-12H,10,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyLTOKSVFUTQZXGU-UHFFFAOYSA-N
XLogP3.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (CID 154877121) is 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is COCc1cccc(CC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The InChIKey is LTOKSVFUTQZXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-13-15-4-2-3-14(9-15)10-19(23)22-18-7-5-16(6-8-18)17-11-20-21-12-17/h2-9,11-12H,10,13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 154877121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).