methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate

C14H15N3O3 — CID 47141661

IUPACmethyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H15N3O3/c1-20-14(19)9-15-13(18)7-11-8-16-17(10-11)12-5-3-2-4-6-12/h2-6,8,10H,7,9H2,1H3,(H,15,18)
InChIKeyLBIMQQMAMLENEV-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.70
Rot. Bonds5

About methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate

methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate (PubChem CID 47141661) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
PubChem CID47141661
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H15N3O3/c1-20-14(19)9-15-13(18)7-11-8-16-17(10-11)12-5-3-2-4-6-12/h2-6,8,10H,7,9H2,1H3,(H,15,18)
InChIKeyLBIMQQMAMLENEV-UHFFFAOYSA-N
XLogP0.70
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
methyl 2-[3-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propanoylamino]acetate
CID 71931745
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
methyl 4-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 18152301
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167772668
N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167828406
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 51982797
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573
2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611
methyl 2-methoxy-5-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 51329846
2-[2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242498

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate (CID 47141661) is methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate is COC(=O)CNC(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate?
The InChIKey is LBIMQQMAMLENEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-14(19)9-15-13(18)7-11-8-16-17(10-11)12-5-3-2-4-6-12/h2-6,8,10H,7,9H2,1H3,(H,15,18).
What are the key properties of methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate?
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate has a molecular weight of 273.29 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate is sourced from PubChem (CID 47141661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).