2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide

C18H17N3O2 — CID 75390964

IUPAC2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H17N3O2/c19-18(22)12-15-4-1-2-5-17(15)23-13-14-6-8-16(9-7-14)21-11-3-10-20-21/h1-11H,12-13H2,(H2,19,22)
InChIKeySJCDROOLWBVGST-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.48
Rot. Bonds6

About 2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide

2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide (PubChem CID 75390964) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide
PubChem CID75390964
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H17N3O2/c19-18(22)12-15-4-1-2-5-17(15)23-13-14-6-8-16(9-7-14)21-11-3-10-20-21/h1-11H,12-13H2,(H2,19,22)
InChIKeySJCDROOLWBVGST-UHFFFAOYSA-N
XLogP2.48
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol
CID 110006014
ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate
CID 56528108
2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide
CID 60548245
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909
(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16571120
(4-pyrazol-1-ylphenyl)methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 27262826
1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole
CID 102507741
(4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16571182
4-[[2-(hydroxymethyl)phenoxy]methyl]benzamide
CID 103616898
(4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate
CID 16571292
(4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate
CID 40767413
(4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
CID 39605576

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide?
The IUPAC name of 2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide (CID 75390964) is 2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide is NC(=O)Cc1ccccc1OCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide?
The InChIKey is SJCDROOLWBVGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-18(22)12-15-4-1-2-5-17(15)23-13-14-6-8-16(9-7-14)21-11-3-10-20-21/h1-11H,12-13H2,(H2,19,22).
What are the key properties of 2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide?
2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 75390964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).