2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one

C16H16FN5O2 — CID 154565308

IUPAC2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1C(=O)NCC12CN(C(=O)c1cn[nH]c1-c1cccc(F)c1)C2
InChIInChI=1S/C16H16FN5O2/c1-21-15(24)18-7-16(21)8-22(9-16)14(23)12-6-19-20-13(12)10-3-2-4-11(17)5-10/h2-6H,7-9H2,1H3,(H,18,24)(H,19,20)
InChIKeySOWPLPYMLLPOCP-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.07
Rot. Bonds2

About 2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one

2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one (PubChem CID 154565308) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
PubChem CID154565308
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1C(=O)NCC12CN(C(=O)c1cn[nH]c1-c1cccc(F)c1)C2
InChIInChI=1S/C16H16FN5O2/c1-21-15(24)18-7-16(21)8-22(9-16)14(23)12-6-19-20-13(12)10-3-2-4-11(17)5-10/h2-6H,7-9H2,1H3,(H,18,24)(H,19,20)
InChIKeySOWPLPYMLLPOCP-UHFFFAOYSA-N
XLogP1.07
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one with MolForge

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Related Compounds

1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 56910859
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
CID 105455963
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 70771223
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70780162
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 70726778
[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95221550
[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 45218235
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone
CID 56866332
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56744449
[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone
CID 138999900
2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 146040645
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one (CID 154565308) is 2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one is CN1C(=O)NCC12CN(C(=O)c1cn[nH]c1-c1cccc(F)c1)C2.
What is the InChIKey of 2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The InChIKey is SOWPLPYMLLPOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-21-15(24)18-7-16(21)8-22(9-16)14(23)12-6-19-20-13(12)10-3-2-4-11(17)5-10/h2-6H,7-9H2,1H3,(H,18,24)(H,19,20).
What are the key properties of 2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one has a molecular weight of 329.34 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one is sourced from PubChem (CID 154565308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).