3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

C15H19FN4O — CID 79231656

IUPAC3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCNc1c(F)cccc1C(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C15H19FN4O/c1-9-12(10(2)20(4)19-9)8-18-15(21)11-6-5-7-13(16)14(11)17-3/h5-7,17H,8H2,1-4H3,(H,18,21)
InChIKeyRGAGXCRLRMYILR-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.15
Rot. Bonds4

About 3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 79231656) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID79231656
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCNc1c(F)cccc1C(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C15H19FN4O/c1-9-12(10(2)20(4)19-9)8-18-15(21)11-6-5-7-13(16)14(11)17-3/h5-7,17H,8H2,1-4H3,(H,18,21)
InChIKeyRGAGXCRLRMYILR-UHFFFAOYSA-N
XLogP2.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 110474855
3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 115930594
N-benzyl-3-fluoro-2-(methylamino)benzamide
CID 55100092
3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62662132
3-fluoro-2-(methylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 63331174
3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62660002
3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231418
N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
CID 64693951
3-fluoro-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62649935
3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106423060
2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 99630725
2-amino-4-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79225523

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 79231656) is 3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is CNc1c(F)cccc1C(=O)NCc1c(C)nn(C)c1C.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is RGAGXCRLRMYILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-9-12(10(2)20(4)19-9)8-18-15(21)11-6-5-7-13(16)14(11)17-3/h5-7,17H,8H2,1-4H3,(H,18,21).
What are the key properties of 3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 290.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 79231656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).