2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide

C18H18FN5O — CID 166336459

IUPAC2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NCc2cc(F)cc(-c3cccnc3)c2)cn1
InChIInChI=1S/C18H18FN5O/c1-20-18(25)12-24-11-17(10-23-24)22-8-13-5-15(7-16(19)6-13)14-3-2-4-21-9-14/h2-7,9-11,22H,8,12H2,1H3,(H,20,25)
InChIKeyDLKBXYWBVLFBGP-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.44
Rot. Bonds6

About 2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide

2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide (PubChem CID 166336459) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
PubChem CID166336459
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NCc2cc(F)cc(-c3cccnc3)c2)cn1
InChIInChI=1S/C18H18FN5O/c1-20-18(25)12-24-11-17(10-23-24)22-8-13-5-15(7-16(19)6-13)14-3-2-4-21-9-14/h2-7,9-11,22H,8,12H2,1H3,(H,20,25)
InChIKeyDLKBXYWBVLFBGP-UHFFFAOYSA-N
XLogP2.44
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide (CID 166336459) is 2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NCc2cc(F)cc(-c3cccnc3)c2)cn1.
What is the InChIKey of 2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is DLKBXYWBVLFBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-20-18(25)12-24-11-17(10-23-24)22-8-13-5-15(7-16(19)6-13)14-3-2-4-21-9-14/h2-7,9-11,22H,8,12H2,1H3,(H,20,25).
What are the key properties of 2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 339.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 166336459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).