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'}

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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).