3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide

C14H16N4O4 — CID 71847066

IUPAC3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1OCC(=O)Nc1cc(C(N)=O)[nH]n1
InChIInChI=1S/C14H16N4O4/c1-2-21-10-5-3-4-6-11(10)22-8-13(19)16-12-7-9(14(15)20)17-18-12/h3-7H,2,8H2,1H3,(H2,15,20)(H2,16,17,18,19)
InChIKeySIXQUWZPKPTRHF-UHFFFAOYSA-N
MW304.31 g/mol
LogP0.92
Rot. Bonds7

About 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide

3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide (PubChem CID 71847066) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide
PubChem CID71847066
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1OCC(=O)Nc1cc(C(N)=O)[nH]n1
InChIInChI=1S/C14H16N4O4/c1-2-21-10-5-3-4-6-11(10)22-8-13(19)16-12-7-9(14(15)20)17-18-12/h3-7H,2,8H2,1H3,(H2,15,20)(H2,16,17,18,19)
InChIKeySIXQUWZPKPTRHF-UHFFFAOYSA-N
XLogP0.92
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide
CID 146090733
2-(2-ethoxyphenoxy)-N-pyridin-4-ylacetamide
CID 78802593
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527861
2-(2-ethoxyphenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 7613010
methyl 2-[[2-(2-ethoxyphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
CID 7917770
2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246888
2-(2-ethoxyphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82726093
N-(4-tert-butylphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7914312
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 24581463
2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide
CID 55979406

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide (CID 71847066) is 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide is CCOc1ccccc1OCC(=O)Nc1cc(C(N)=O)[nH]n1.
What is the InChIKey of 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is SIXQUWZPKPTRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-2-21-10-5-3-4-6-11(10)22-8-13(19)16-12-7-9(14(15)20)17-18-12/h3-7H,2,8H2,1H3,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide?
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71847066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).