2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide

C12H13N3O2 — CID 43429566

IUPAC2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(COCc1ccccc1)Nc1cn[nH]c1
InChIInChI=1S/C12H13N3O2/c16-12(15-11-6-13-14-7-11)9-17-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)(H,15,16)
InChIKeyJYKFBFFXFHNPIT-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.57
Rot. Bonds5

About 2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide

2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43429566) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43429566
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(COCc1ccccc1)Nc1cn[nH]c1
InChIInChI=1S/C12H13N3O2/c16-12(15-11-6-13-14-7-11)9-17-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)(H,15,16)
InChIKeyJYKFBFFXFHNPIT-UHFFFAOYSA-N
XLogP1.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-phenylmethoxyacetamide
CID 15220156
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067
4-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 14054017
2-(3-hydroxyphenyl)-N-(1H-pyrazol-4-yl)acetamide
CID 61399438
N-(2-ethylphenyl)-2-(1H-pyrazol-4-ylmethoxy)acetamide
CID 126837470
2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide
CID 49495181
3-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 43238383
2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide
CID 43430758
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
N-(2-anilinophenyl)-2-phenylmethoxyacetamide
CID 112770108
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide (CID 43429566) is 2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide is O=C(COCc1ccccc1)Nc1cn[nH]c1.
What is the InChIKey of 2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is JYKFBFFXFHNPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-12(15-11-6-13-14-7-11)9-17-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)(H,15,16).
What are the key properties of 2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide?
2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 231.26 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43429566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).