1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide

C12H14N4O — CID 39869839

IUPAC1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(N)=O)cnn1-c1ccc(N)cc1
InChIInChI=1S/C12H14N4O/c1-2-11-10(12(14)17)7-15-16(11)9-5-3-8(13)4-6-9/h3-7H,2,13H2,1H3,(H2,14,17)
InChIKeyRDIMYOATNXVQTI-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.12
Rot. Bonds3

About 1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide

1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide (PubChem CID 39869839) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide
PubChem CID39869839
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(N)=O)cnn1-c1ccc(N)cc1
InChIInChI=1S/C12H14N4O/c1-2-11-10(12(14)17)7-15-16(11)9-5-3-8(13)4-6-9/h3-7H,2,13H2,1H3,(H2,14,17)
InChIKeyRDIMYOATNXVQTI-UHFFFAOYSA-N
XLogP1.12
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide (CID 39869839) is 1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide is CCc1c(C(N)=O)cnn1-c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide?
The InChIKey is RDIMYOATNXVQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-11-10(12(14)17)7-15-16(11)9-5-3-8(13)4-6-9/h3-7H,2,13H2,1H3,(H2,14,17).
What are the key properties of 1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide?
1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 39869839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).