N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide

C17H19N5O3 — CID 68954223

IUPACN-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide
SMILESCCc1nn(CC(=O)NNC=O)c(CC)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C17H19N5O3/c1-3-14-17(25-13-7-5-12(9-18)6-8-13)15(4-2)22(21-14)10-16(24)20-19-11-23/h5-8,11H,3-4,10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyNGTKUHWASAFOIE-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.45
Rot. Bonds8

About N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide

N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide (PubChem CID 68954223) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide.

Molecular Properties

Compound NameN-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide
PubChem CID68954223
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide
SMILESCCc1nn(CC(=O)NNC=O)c(CC)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C17H19N5O3/c1-3-14-17(25-13-7-5-12(9-18)6-8-13)15(4-2)22(21-14)10-16(24)20-19-11-23/h5-8,11H,3-4,10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyNGTKUHWASAFOIE-UHFFFAOYSA-N
XLogP1.45
TPSA109.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide 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

4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile
CID 68918134
2-[4-(3,5-dicyanophenoxy)-3,5-diethylpyrazol-1-yl]acetic acid
CID 69361841
2-[4-(3,5-dicyanophenoxy)-3,5-diethylpyrazol-1-yl]ethyl hydrogen sulfate
CID 155928812
5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-2-methylsulfanylbenzonitrile
CID 142181292
ethyl 2-[4-(4-cyanophenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 90995777
N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 47093140
4-(4-propanoylphenoxy)benzonitrile
CID 103604232
2-[5-ethyl-3-methoxy-4-(4-methylphenoxy)pyrazol-1-yl]acetamide
CID 143309861
4-[(3,5-diethyl-4-nitrosopyrazol-1-yl)methyl]benzonitrile
CID 123705389
N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
CID 9323375
N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 48872680
N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654596

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide?
The IUPAC name of N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide (CID 68954223) is N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide.
What is the SMILES notation for N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide?
The canonical SMILES for N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide is CCc1nn(CC(=O)NNC=O)c(CC)c1Oc1ccc(C#N)cc1.
What is the InChIKey of N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide?
The InChIKey is NGTKUHWASAFOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-3-14-17(25-13-7-5-12(9-18)6-8-13)15(4-2)22(21-14)10-16(24)20-19-11-23/h5-8,11H,3-4,10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide?
N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide has a molecular weight of 341.37 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(4-cyanophenoxy)-3,5-diethylpyrazol-1-yl]acetyl]amino]formamide is sourced from PubChem (CID 68954223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).