2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide

C20H18N4O2 — CID 56791885

IUPAC2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C20H18N4O2/c1-15(26-19-8-6-16(13-21)7-9-19)20(25)22-14-17-4-2-5-18(12-17)24-11-3-10-23-24/h2-12,15H,14H2,1H3,(H,22,25)
InChIKeyLYGXUXCTWSQPJY-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.83
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide

2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide (PubChem CID 56791885) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
PubChem CID56791885
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C20H18N4O2/c1-15(26-19-8-6-16(13-21)7-9-19)20(25)22-14-17-4-2-5-18(12-17)24-11-3-10-23-24/h2-12,15H,14H2,1H3,(H,22,25)
InChIKeyLYGXUXCTWSQPJY-UHFFFAOYSA-N
XLogP2.83
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide 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

2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide
CID 55660949
(2R)-2-(4-cyanophenoxy)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]propanamide
CID 95308237
N-[3-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 25483945
2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 55707900
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 7858145
2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 78810656
5-[[2-(4-cyanophenoxy)propanoylamino]methyl]-2-methoxybenzoic acid
CID 45384516
2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 102556013
2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 46431766
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55953640

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide (CID 56791885) is 2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCc1cccc(-n2cccn2)c1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide?
The InChIKey is LYGXUXCTWSQPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-15(26-19-8-6-16(13-21)7-9-19)20(25)22-14-17-4-2-5-18(12-17)24-11-3-10-23-24/h2-12,15H,14H2,1H3,(H,22,25).
What are the key properties of 2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide?
2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide has a molecular weight of 346.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 56791885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).