2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide

C19H19FN4O — CID 75372346

IUPAC2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
SMILESCC(C)(C(=O)Nc1cnn(Cc2ccccn2)c1)c1cccc(F)c1
InChIInChI=1S/C19H19FN4O/c1-19(2,14-6-5-7-15(20)10-14)18(25)23-17-11-22-24(13-17)12-16-8-3-4-9-21-16/h3-11,13H,12H2,1-2H3,(H,23,25)
InChIKeyRMVRGAOKLUKGAT-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.38
Rot. Bonds5

About 2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide

2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide (PubChem CID 75372346) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
PubChem CID75372346
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
SMILESCC(C)(C(=O)Nc1cnn(Cc2ccccn2)c1)c1cccc(F)c1
InChIInChI=1S/C19H19FN4O/c1-19(2,14-6-5-7-15(20)10-14)18(25)23-17-11-22-24(13-17)12-16-8-3-4-9-21-16/h3-11,13H,12H2,1-2H3,(H,23,25)
InChIKeyRMVRGAOKLUKGAT-UHFFFAOYSA-N
XLogP3.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide (CID 75372346) is 2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide is CC(C)(C(=O)Nc1cnn(Cc2ccccn2)c1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide?
The InChIKey is RMVRGAOKLUKGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-19(2,14-6-5-7-15(20)10-14)18(25)23-17-11-22-24(13-17)12-16-8-3-4-9-21-16/h3-11,13H,12H2,1-2H3,(H,23,25).
What are the key properties of 2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide?
2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide has a molecular weight of 338.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 75372346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).