2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide

C14H15N5O — CID 75446821

IUPAC2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide
SMILESCC(Nc1ccn(CC(N)=O)n1)c1ccc(C#N)cc1
InChIInChI=1S/C14H15N5O/c1-10(12-4-2-11(8-15)3-5-12)17-14-6-7-19(18-14)9-13(16)20/h2-7,10H,9H2,1H3,(H2,16,20)(H,17,18)
InChIKeyJVFMILMWNXUKKV-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.41
Rot. Bonds5

About 2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide

2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide (PubChem CID 75446821) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide
PubChem CID75446821
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide
SMILESCC(Nc1ccn(CC(N)=O)n1)c1ccc(C#N)cc1
InChIInChI=1S/C14H15N5O/c1-10(12-4-2-11(8-15)3-5-12)17-14-6-7-19(18-14)9-13(16)20/h2-7,10H,9H2,1H3,(H2,16,20)(H,17,18)
InChIKeyJVFMILMWNXUKKV-UHFFFAOYSA-N
XLogP1.41
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide 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 2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide (CID 75446821) is 2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide is CC(Nc1ccn(CC(N)=O)n1)c1ccc(C#N)cc1.
What is the InChIKey of 2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide?
The InChIKey is JVFMILMWNXUKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10(12-4-2-11(8-15)3-5-12)17-14-6-7-19(18-14)9-13(16)20/h2-7,10H,9H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide?
2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide has a molecular weight of 269.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 75446821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).