N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide

C13H16N4O2 — CID 82484529

IUPACN-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide
SMILESCCOc1ccc(-c2cc(N)n[nH]2)cc1NC(C)=O
InChIInChI=1S/C13H16N4O2/c1-3-19-12-5-4-9(6-11(12)15-8(2)18)10-7-13(14)17-16-10/h4-7H,3H2,1-2H3,(H,15,18)(H3,14,16,17)
InChIKeyKBSFXUCKEVHWTM-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.02
Rot. Bonds4

About N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide

N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide (PubChem CID 82484529) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide
PubChem CID82484529
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide
SMILESCCOc1ccc(-c2cc(N)n[nH]2)cc1NC(C)=O
InChIInChI=1S/C13H16N4O2/c1-3-19-12-5-4-9(6-11(12)15-8(2)18)10-7-13(14)17-16-10/h4-7H,3H2,1-2H3,(H,15,18)(H3,14,16,17)
InChIKeyKBSFXUCKEVHWTM-UHFFFAOYSA-N
XLogP2.02
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide
CID 96668388
N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide
CID 96669522
5-(4-ethoxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 3480116
N-[2-ethoxy-5-(hydroxymethyl)phenyl]acetamide
CID 82470650
5-(3-amino-1H-pyrazol-5-yl)-2-methoxyphenol
CID 130019057
2-(3-acetamido-4-ethoxyphenyl)acetamide
CID 96674142
N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide
CID 96673990
3-acetamido-4-ethoxybenzenesulfonic acid
CID 82483875
5-(4-ethoxynaphthalen-1-yl)-1H-pyrazol-3-amine
CID 3539207
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
N-(7-ethoxyquinolin-6-yl)acetamide
CID 174923563
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide?
The IUPAC name of N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide (CID 82484529) is N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide.
What is the SMILES notation for N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide?
The canonical SMILES for N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide is CCOc1ccc(-c2cc(N)n[nH]2)cc1NC(C)=O.
What is the InChIKey of N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide?
The InChIKey is KBSFXUCKEVHWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-19-12-5-4-9(6-11(12)15-8(2)18)10-7-13(14)17-16-10/h4-7H,3H2,1-2H3,(H,15,18)(H3,14,16,17).
What are the key properties of N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide?
N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide has a molecular weight of 260.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide is sourced from PubChem (CID 82484529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).