4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide

C13H14FN3O2 — CID 114255745

IUPAC4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(F)cc2)nn1C
InChIInChI=1S/C13H14FN3O2/c1-17-12(19-2)7-11(16-17)8-15-13(18)9-3-5-10(14)6-4-9/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyXOVVOQMASZKXTQ-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.50
Rot. Bonds4

About 4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide

4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 114255745) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID114255745
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(F)cc2)nn1C
InChIInChI=1S/C13H14FN3O2/c1-17-12(19-2)7-11(16-17)8-15-13(18)9-3-5-10(14)6-4-9/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyXOVVOQMASZKXTQ-UHFFFAOYSA-N
XLogP1.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497701
2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid
CID 114256149
(2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide
CID 114255886
N-(2-methoxyethyl)-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide
CID 114255770
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
3-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 114256151
4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489941
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 114255877
(3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 114255871
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide
CID 71808574
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3,4-dimethylbenzamide
CID 19329054
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide (CID 114255745) is 4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide is COc1cc(CNC(=O)c2ccc(F)cc2)nn1C.
What is the InChIKey of 4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is XOVVOQMASZKXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-17-12(19-2)7-11(16-17)8-15-13(18)9-3-5-10(14)6-4-9/h3-7H,8H2,1-2H3,(H,15,18).
What are the key properties of 4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide?
4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 263.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 114255745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).