3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide

C20H21FN4O2 — CID 42509930

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide
SMILESCc1cc(C)n(CCC(=O)NCc2cccnc2Oc2ccccc2F)n1
InChIInChI=1S/C20H21FN4O2/c1-14-12-15(2)25(24-14)11-9-19(26)23-13-16-6-5-10-22-20(16)27-18-8-4-3-7-17(18)21/h3-8,10,12H,9,11,13H2,1-2H3,(H,23,26)
InChIKeyIGKYPHQOSHXCOO-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.53
Rot. Bonds7

About 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide (PubChem CID 42509930) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide
PubChem CID42509930
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide
SMILESCc1cc(C)n(CCC(=O)NCc2cccnc2Oc2ccccc2F)n1
InChIInChI=1S/C20H21FN4O2/c1-14-12-15(2)25(24-14)11-9-19(26)23-13-16-6-5-10-22-20(16)27-18-8-4-3-7-17(18)21/h3-8,10,12H,9,11,13H2,1-2H3,(H,23,26)
InChIKeyIGKYPHQOSHXCOO-UHFFFAOYSA-N
XLogP3.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide (CID 42509930) is 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide is Cc1cc(C)n(CCC(=O)NCc2cccnc2Oc2ccccc2F)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide?
The InChIKey is IGKYPHQOSHXCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-14-12-15(2)25(24-14)11-9-19(26)23-13-16-6-5-10-22-20(16)27-18-8-4-3-7-17(18)21/h3-8,10,12H,9,11,13H2,1-2H3,(H,23,26).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide has a molecular weight of 368.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 42509930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).