2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide

C12H13N3O2 — CID 60968186

IUPAC2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide
SMILESCOC(C(=O)Nc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C12H13N3O2/c1-17-11(9-5-3-2-4-6-9)12(16)15-10-7-13-14-8-10/h2-8,11H,1H3,(H,13,14)(H,15,16)
InChIKeyXYIANSFEEXSMIZ-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.74
Rot. Bonds4

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

2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 60968186) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide
PubChem CID60968186
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide
SMILESCOC(C(=O)Nc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C12H13N3O2/c1-17-11(9-5-3-2-4-6-9)12(16)15-10-7-13-14-8-10/h2-8,11H,1H3,(H,13,14)(H,15,16)
InChIKeyXYIANSFEEXSMIZ-UHFFFAOYSA-N
XLogP1.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methoxy-2-phenyl-N-pyridin-3-ylacetamide
CID 51604927
N-(4-anilinophenyl)-2-methoxy-2-phenylacetamide
CID 75415396
N-(4-iodophenyl)-2-methoxy-2-phenylacetamide
CID 55024606
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
4-[(2-methoxy-2-phenylacetyl)amino]benzamide
CID 2896452
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
2-amino-N-(1H-pyrazol-4-yl)propanamide
CID 43540259
(2R)-2-methoxy-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 95279874
N-(3,4-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956436
1H-pyrazol-4-ylcarbamic acid
CID 66846920
2-methoxy-N-(4-nitrophenyl)-2-phenylacetamide
CID 2828422
2-[4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-2-methylpropanoic acid
CID 119253867

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide (CID 60968186) is 2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide is COC(C(=O)Nc1cn[nH]c1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is XYIANSFEEXSMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-11(9-5-3-2-4-6-9)12(16)15-10-7-13-14-8-10/h2-8,11H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide?
2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 231.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 60968186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).