2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide

C15H14FN3O2 — CID 86816230

IUPAC2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide
SMILESC#CCn1cc(CN(C)C(=O)c2c(O)cccc2F)cn1
InChIInChI=1S/C15H14FN3O2/c1-3-7-19-10-11(8-17-19)9-18(2)15(21)14-12(16)5-4-6-13(14)20/h1,4-6,8,10,20H,7,9H2,2H3
InChIKeyLPIGWVGCNGCBRD-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.63
Rot. Bonds4

About 2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide

2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide (PubChem CID 86816230) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide
PubChem CID86816230
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide
SMILESC#CCn1cc(CN(C)C(=O)c2c(O)cccc2F)cn1
InChIInChI=1S/C15H14FN3O2/c1-3-7-19-10-11(8-17-19)9-18(2)15(21)14-12(16)5-4-6-13(14)20/h1,4-6,8,10,20H,7,9H2,2H3
InChIKeyLPIGWVGCNGCBRD-UHFFFAOYSA-N
XLogP1.63
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide (CID 86816230) is 2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide is C#CCn1cc(CN(C)C(=O)c2c(O)cccc2F)cn1.
What is the InChIKey of 2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide?
The InChIKey is LPIGWVGCNGCBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-3-7-19-10-11(8-17-19)9-18(2)15(21)14-12(16)5-4-6-13(14)20/h1,4-6,8,10,20H,7,9H2,2H3.
What are the key properties of 2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide?
2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide has a molecular weight of 287.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 86816230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).