3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide

C18H15FN4O3 — CID 56738366

IUPAC3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCC(=O)c1cc(C(=O)NCc2cccnc2Oc2ccccc2F)[nH]n1
InChIInChI=1S/C18H15FN4O3/c1-11(24)14-9-15(23-22-14)17(25)21-10-12-5-4-8-20-18(12)26-16-7-3-2-6-13(16)19/h2-9H,10H2,1H3,(H,21,25)(H,22,23)
InChIKeyHETGRTPOFGRLDC-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.87
Rot. Bonds6

About 3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide

3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 56738366) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID56738366
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCC(=O)c1cc(C(=O)NCc2cccnc2Oc2ccccc2F)[nH]n1
InChIInChI=1S/C18H15FN4O3/c1-11(24)14-9-15(23-22-14)17(25)21-10-12-5-4-8-20-18(12)26-16-7-3-2-6-13(16)19/h2-9H,10H2,1H3,(H,21,25)(H,22,23)
InChIKeyHETGRTPOFGRLDC-UHFFFAOYSA-N
XLogP2.87
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 56752779
4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide
CID 56747430
4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 56739016
(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
CID 95197720
(2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
CID 95394220
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 42196758
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42291285
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxyacetamide
CID 56751588
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxypropanamide
CID 56738262
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 25281555
2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 56750367
(2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 42198821

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide (CID 56738366) is 3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide is CC(=O)c1cc(C(=O)NCc2cccnc2Oc2ccccc2F)[nH]n1.
What is the InChIKey of 3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is HETGRTPOFGRLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-11(24)14-9-15(23-22-14)17(25)21-10-12-5-4-8-20-18(12)26-16-7-3-2-6-13(16)19/h2-9H,10H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56738366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).