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

C13H15F2N5O — CID 106040107

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide
SMILESCc1c(CNC(=O)c2cc(F)c(NN)c(F)c2)cnn1C
InChIInChI=1S/C13H15F2N5O/c1-7-9(6-18-20(7)2)5-17-13(21)8-3-10(14)12(19-16)11(15)4-8/h3-4,6,19H,5,16H2,1-2H3,(H,17,21)
InChIKeyKFLDDSBYPSAZJC-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.22
Rot. Bonds4

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide (PubChem CID 106040107) has the molecular formula C13H15F2N5O and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide
PubChem CID106040107
Molecular FormulaC13H15F2N5O
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide
SMILESCc1c(CNC(=O)c2cc(F)c(NN)c(F)c2)cnn1C
InChIInChI=1S/C13H15F2N5O/c1-7-9(6-18-20(7)2)5-17-13(21)8-3-10(14)12(19-16)11(15)4-8/h3-4,6,19H,5,16H2,1-2H3,(H,17,21)
InChIKeyKFLDDSBYPSAZJC-UHFFFAOYSA-N
XLogP1.22
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.22
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

4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106032758
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 106040117
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-hydroxybenzamide
CID 104930006
3,5-difluoro-4-hydrazinyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114957550
3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide
CID 63186090
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 102978759
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106041082
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 106049941
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 106032747
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 106032760
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]-3,5-difluoro-4-hydrazinylbenzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide (CID 106040107) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide is Cc1c(CNC(=O)c2cc(F)c(NN)c(F)c2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide?
The InChIKey is KFLDDSBYPSAZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O/c1-7-9(6-18-20(7)2)5-17-13(21)8-3-10(14)12(19-16)11(15)4-8/h3-4,6,19H,5,16H2,1-2H3,(H,17,21).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide has a molecular weight of 295.29 g/mol, XLogP of 1.22, 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]-3,5-difluoro-4-hydrazinylbenzamide is sourced from PubChem (CID 106040107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).