N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide

C17H14F2N4O2 — CID 42196758

IUPACN-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCc1cccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C17H14F2N4O2/c1-10-13(9-22-23-10)16(24)21-8-11-3-2-6-20-17(11)25-15-5-4-12(18)7-14(15)19/h2-7,9H,8H2,1H3,(H,21,24)(H,22,23)
InChIKeyJVFBYBUHMMBULX-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.11
Rot. Bonds5

About N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 42196758) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID42196758
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC NameN-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCc1cccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C17H14F2N4O2/c1-10-13(9-22-23-10)16(24)21-8-11-3-2-6-20-17(11)25-15-5-4-12(18)7-14(15)19/h2-7,9H,8H2,1H3,(H,21,24)(H,22,23)
InChIKeyJVFBYBUHMMBULX-UHFFFAOYSA-N
XLogP3.11
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146
(2R)-2-amino-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 56759225
(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide
CID 95219679
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide
CID 56759707
[2-(2,4-difluorophenoxy)-3-pyridinyl]methanol
CID 61256286
(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide
CID 95190027
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 42520255
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 56757836
3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 56738366
4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 56742548

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 42196758) is N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCc1cccnc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is JVFBYBUHMMBULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-10-13(9-22-23-10)16(24)21-8-11-3-2-6-20-17(11)25-15-5-4-12(18)7-14(15)19/h2-7,9H,8H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 344.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 42196758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).