3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

C12H14FN5O — CID 82875128

IUPAC3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2cccc(F)c2NN)n1
InChIInChI=1S/C12H14FN5O/c1-18-6-5-8(17-18)7-15-12(19)9-3-2-4-10(13)11(9)16-14/h2-6,16H,7,14H2,1H3,(H,15,19)
InChIKeyKCKBMVDQUDUAFX-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.77
Rot. Bonds4

About 3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 82875128) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID82875128
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2cccc(F)c2NN)n1
InChIInChI=1S/C12H14FN5O/c1-18-6-5-8(17-18)7-15-12(19)9-3-2-4-10(13)11(9)16-14/h2-6,16H,7,14H2,1H3,(H,15,19)
InChIKeyKCKBMVDQUDUAFX-UHFFFAOYSA-N
XLogP0.77
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.77
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

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]-3-fluoro-2-hydrazinylbenzamide
CID 106040117
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882306
3-fluoro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309300
N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661139
3-fluoro-2-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62989936
N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 83114769
2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872980
3-fluoro-2-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 82875128) is 3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is Cn1ccc(CNC(=O)c2cccc(F)c2NN)n1.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is KCKBMVDQUDUAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-18-6-5-8(17-18)7-15-12(19)9-3-2-4-10(13)11(9)16-14/h2-6,16H,7,14H2,1H3,(H,15,19).
What are the key properties of 3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 263.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 82875128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).