N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide

C25H33FN4O2 — CID 167961763

IUPACN'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide
SMILESCCCc1c(NC(=O)C(=O)NC2CCCCC23CCCCC3)cnn1-c1cccc(F)c1
InChIInChI=1S/C25H33FN4O2/c1-2-9-21-20(17-27-30(21)19-11-8-10-18(26)16-19)28-23(31)24(32)29-22-12-4-7-15-25(22)13-5-3-6-14-25/h8,10-11,16-17,22H,2-7,9,12-15H2,1H3,(H,28,31)(H,29,32)
InChIKeyFBQXYMHZPUOTLC-UHFFFAOYSA-N
MW440.56 g/mol
LogP4.91
Rot. Bonds5

About N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide

N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide (PubChem CID 167961763) has the molecular formula C25H33FN4O2 and a molecular weight of 440.56 g/mol. Its IUPAC name is N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide.

Molecular Properties

Compound NameN'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide
PubChem CID167961763
Molecular FormulaC25H33FN4O2
Molecular Weight440.56 g/mol
Exact Mass440.26
IUPAC NameN'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide
SMILESCCCc1c(NC(=O)C(=O)NC2CCCCC23CCCCC3)cnn1-c1cccc(F)c1
InChIInChI=1S/C25H33FN4O2/c1-2-9-21-20(17-27-30(21)19-11-8-10-18(26)16-19)28-23(31)24(32)29-22-12-4-7-15-25(22)13-5-3-6-14-25/h8,10-11,16-17,22H,2-7,9,12-15H2,1H3,(H,28,31)(H,29,32)
InChIKeyFBQXYMHZPUOTLC-UHFFFAOYSA-N
XLogP4.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide?
The IUPAC name of N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide (CID 167961763) is N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide.
What is the SMILES notation for N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide?
The canonical SMILES for N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide is CCCc1c(NC(=O)C(=O)NC2CCCCC23CCCCC3)cnn1-c1cccc(F)c1.
What is the InChIKey of N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide?
The InChIKey is FBQXYMHZPUOTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O2/c1-2-9-21-20(17-27-30(21)19-11-8-10-18(26)16-19)28-23(31)24(32)29-22-12-4-7-15-25(22)13-5-3-6-14-25/h8,10-11,16-17,22H,2-7,9,12-15H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide?
N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide has a molecular weight of 440.56 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide is sourced from PubChem (CID 167961763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).