3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide

C19H20FN5O — CID 67094223

IUPAC3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC(N)c1ccc(-c2cc(-c3ccc(F)cc3)[nH]n2)cn1
InChIInChI=1S/C19H20FN5O/c1-25(2)19(26)9-15(21)16-8-5-13(11-22-16)18-10-17(23-24-18)12-3-6-14(20)7-4-12/h3-8,10-11,15H,9,21H2,1-2H3,(H,23,24)
InChIKeyURMXDUIBYLFVRS-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.76
Rot. Bonds5

About 3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide

3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide (PubChem CID 67094223) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide
PubChem CID67094223
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC(N)c1ccc(-c2cc(-c3ccc(F)cc3)[nH]n2)cn1
InChIInChI=1S/C19H20FN5O/c1-25(2)19(26)9-15(21)16-8-5-13(11-22-16)18-10-17(23-24-18)12-3-6-14(20)7-4-12/h3-8,10-11,15H,9,21H2,1-2H3,(H,23,24)
InChIKeyURMXDUIBYLFVRS-UHFFFAOYSA-N
XLogP2.76
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide (CID 67094223) is 3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide is CN(C)C(=O)CC(N)c1ccc(-c2cc(-c3ccc(F)cc3)[nH]n2)cn1.
What is the InChIKey of 3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide?
The InChIKey is URMXDUIBYLFVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-25(2)19(26)9-15(21)16-8-5-13(11-22-16)18-10-17(23-24-18)12-3-6-14(20)7-4-12/h3-8,10-11,15H,9,21H2,1-2H3,(H,23,24).
What are the key properties of 3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide?
3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide has a molecular weight of 353.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 67094223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).