N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide

C18H20FN5O3 — CID 119066325

About N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 119066325) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
• PubChem CID: 119066325
• Molecular Formula: C18H20FN5O3
• Molecular Weight: 373.39 g/mol
• Exact Mass: 373.16
• IUPAC Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
• SMILES: CN1CC2(CCN(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)C2)OC1=O
• InChI: InChI=1S/C18H20FN5O3/c1-22-11-18(27-17(22)26)5-6-23(12-18)16(25)21-15-8-20-24(10-15)9-13-3-2-4-14(19)7-13/h2-4,7-8,10H,5-6,9,11-12H2,1H3,(H,21,25)
• InChIKey: MLCKWDLMHVARDH-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.39
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?

The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide (CID 119066325) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide.

What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?

The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide is CN1CC2(CCN(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)C2)OC1=O.

What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?

The InChIKey is MLCKWDLMHVARDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-22-11-18(27-17(22)26)5-6-23(12-18)16(25)21-15-8-20-24(10-15)9-13-3-2-4-14(19)7-13/h2-4,7-8,10H,5-6,9,11-12H2,1H3,(H,21,25).

What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 119066325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).