N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide

C14H16N4O2 — CID 65357059

IUPACN-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H16N4O2/c1-3-18-13(12(15)8-16-18)14(20)17-11-6-4-10(5-7-11)9(2)19/h4-8H,3,15H2,1-2H3,(H,17,20)
InChIKeyOETQUNZKHRNOJP-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.94
Rot. Bonds4

About N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide

N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide (PubChem CID 65357059) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide
PubChem CID65357059
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H16N4O2/c1-3-18-13(12(15)8-16-18)14(20)17-11-6-4-10(5-7-11)9(2)19/h4-8H,3,15H2,1-2H3,(H,17,20)
InChIKeyOETQUNZKHRNOJP-UHFFFAOYSA-N
XLogP1.94
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide 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

4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357180
4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide
CID 65359105
4-amino-N-(4-bromo-3-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 107618381
4-amino-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357288
4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide
CID 65356994
4-amino-N-(2,6-diethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 65357426
4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
CID 35522791
4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355760
4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65356982
S-methyl 4-amino-1-ethylpyrazole-5-carbothioate
CID 117219174
4-amino-1-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 65358870
4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 81262492

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide (CID 65357059) is N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide?
The InChIKey is OETQUNZKHRNOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-18-13(12(15)8-16-18)14(20)17-11-6-4-10(5-7-11)9(2)19/h4-8H,3,15H2,1-2H3,(H,17,20).
What are the key properties of N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide?
N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 65357059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).