N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide

C13H16FN5O — CID 106040117

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide
SMILESCc1c(CNC(=O)c2cccc(F)c2NN)cnn1C
InChIInChI=1S/C13H16FN5O/c1-8-9(7-17-19(8)2)6-16-13(20)10-4-3-5-11(14)12(10)18-15/h3-5,7,18H,6,15H2,1-2H3,(H,16,20)
InChIKeyHBGXJOJTQHJHOH-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.08
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide (PubChem CID 106040117) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide
PubChem CID106040117
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide
SMILESCc1c(CNC(=O)c2cccc(F)c2NN)cnn1C
InChIInChI=1S/C13H16FN5O/c1-8-9(7-17-19(8)2)6-16-13(20)10-4-3-5-11(14)12(10)18-15/h3-5,7,18H,6,15H2,1-2H3,(H,16,20)
InChIKeyHBGXJOJTQHJHOH-UHFFFAOYSA-N
XLogP1.08
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide
CID 106040107
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzamide
CID 103861008
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-hydroxybenzamide
CID 104930006
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 103187314
3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82875128
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106040133
3-fluoro-2-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62661142
3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 62660449
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 114139707

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide (CID 106040117) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide is Cc1c(CNC(=O)c2cccc(F)c2NN)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide?
The InChIKey is HBGXJOJTQHJHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-8-9(7-17-19(8)2)6-16-13(20)10-4-3-5-11(14)12(10)18-15/h3-5,7,18H,6,15H2,1-2H3,(H,16,20).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide has a molecular weight of 277.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide is sourced from PubChem (CID 106040117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).