2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide

C19H20N4O2 — CID 11964844

IUPAC2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C2CC2)c(Oc2ccc(C#N)cc2)c1C1CC1
InChIInChI=1S/C19H20N4O2/c1-21-16(24)11-23-18(14-6-7-14)19(17(22-23)13-4-5-13)25-15-8-2-12(10-20)3-9-15/h2-3,8-9,13-14H,4-7,11H2,1H3,(H,21,24)
InChIKeyPQGLAOODCQDRAR-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.05
Rot. Bonds6

About 2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide

2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide (PubChem CID 11964844) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide
PubChem CID11964844
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C2CC2)c(Oc2ccc(C#N)cc2)c1C1CC1
InChIInChI=1S/C19H20N4O2/c1-21-16(24)11-23-18(14-6-7-14)19(17(22-23)13-4-5-13)25-15-8-2-12(10-20)3-9-15/h2-3,8-9,13-14H,4-7,11H2,1H3,(H,21,24)
InChIKeyPQGLAOODCQDRAR-UHFFFAOYSA-N
XLogP3.05
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide 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-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide (CID 11964844) is 2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1nc(C2CC2)c(Oc2ccc(C#N)cc2)c1C1CC1.
What is the InChIKey of 2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide?
The InChIKey is PQGLAOODCQDRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-21-16(24)11-23-18(14-6-7-14)19(17(22-23)13-4-5-13)25-15-8-2-12(10-20)3-9-15/h2-3,8-9,13-14H,4-7,11H2,1H3,(H,21,24).
What are the key properties of 2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide?
2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide has a molecular weight of 336.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 11964844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).