5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide

C19H23FN4O2 — CID 166286588

IUPAC5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCC2(CC1)CNCCO2)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C19H23FN4O2/c20-16-4-2-1-3-14(16)17-15(11-22-24-17)18(25)23-13-5-7-19(8-6-13)12-21-9-10-26-19/h1-4,11,13,21H,5-10,12H2,(H,22,24)(H,23,25)
InChIKeyVAEUEUMAVSCODV-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.25
Rot. Bonds3

About 5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide

5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide (PubChem CID 166286588) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide
PubChem CID166286588
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCC2(CC1)CNCCO2)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C19H23FN4O2/c20-16-4-2-1-3-14(16)17-15(11-22-24-17)18(25)23-13-5-7-19(8-6-13)12-21-9-10-26-19/h1-4,11,13,21H,5-10,12H2,(H,22,24)(H,23,25)
InChIKeyVAEUEUMAVSCODV-UHFFFAOYSA-N
XLogP2.25
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothian-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 75378460
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CID 120599770
5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide
CID 154766632
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 155948751
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide
CID 127984240
5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91771955
5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 154841420
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562475
5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539156
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
CID 112729579
N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 60511818

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide (CID 166286588) is 5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide is O=C(NC1CCC2(CC1)CNCCO2)c1cn[nH]c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is VAEUEUMAVSCODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-16-4-2-1-3-14(16)17-15(11-22-24-17)18(25)23-13-5-7-19(8-6-13)12-21-9-10-26-19/h1-4,11,13,21H,5-10,12H2,(H,22,24)(H,23,25).
What are the key properties of 5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166286588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).