3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide

C18H18N4O2 — CID 973028

IUPAC3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide
SMILESCCOc1ccc(-c2cn(C(=O)Nc3ccccc3)nc2N)cc1
InChIInChI=1S/C18H18N4O2/c1-2-24-15-10-8-13(9-11-15)16-12-22(21-17(16)19)18(23)20-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,19,21)(H,20,23)
InChIKeyUKRDLLANLJTEEX-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.61
Rot. Bonds4

About 3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide

3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide (PubChem CID 973028) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide
PubChem CID973028
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide
SMILESCCOc1ccc(-c2cn(C(=O)Nc3ccccc3)nc2N)cc1
InChIInChI=1S/C18H18N4O2/c1-2-24-15-10-8-13(9-11-15)16-12-22(21-17(16)19)18(23)20-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,19,21)(H,20,23)
InChIKeyUKRDLLANLJTEEX-UHFFFAOYSA-N
XLogP3.61
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-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 3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide?
The IUPAC name of 3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide (CID 973028) is 3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide?
The canonical SMILES for 3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide is CCOc1ccc(-c2cn(C(=O)Nc3ccccc3)nc2N)cc1.
What is the InChIKey of 3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide?
The InChIKey is UKRDLLANLJTEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-24-15-10-8-13(9-11-15)16-12-22(21-17(16)19)18(23)20-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,19,21)(H,20,23).
What are the key properties of 3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide?
3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-ethoxyphenyl)-N-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 973028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).