3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide

C15H19FN4O — CID 107458941

IUPAC3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide
SMILESCCc1c(C)nn(Cc2cc(C(=O)NN)ccc2F)c1C
InChIInChI=1S/C15H19FN4O/c1-4-13-9(2)19-20(10(13)3)8-12-7-11(15(21)18-17)5-6-14(12)16/h5-7H,4,8,17H2,1-3H3,(H,18,21)
InChIKeyQPXJQFKYZJLCRL-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.85
Rot. Bonds4

About 3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide

3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide (PubChem CID 107458941) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide
PubChem CID107458941
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide
SMILESCCc1c(C)nn(Cc2cc(C(=O)NN)ccc2F)c1C
InChIInChI=1S/C15H19FN4O/c1-4-13-9(2)19-20(10(13)3)8-12-7-11(15(21)18-17)5-6-14(12)16/h5-7H,4,8,17H2,1-3H3,(H,18,21)
InChIKeyQPXJQFKYZJLCRL-UHFFFAOYSA-N
XLogP1.85
TPSA72.94 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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458944
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide
CID 63579621
4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-fluorobenzenecarbothioamide
CID 61237223
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107459005
4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarbothioamide
CID 114482082
3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide
CID 102774824
[1-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647471
3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458852
3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458388
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
3-[[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-fluorobenzonitrile
CID 43647744

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide (CID 107458941) is 3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide is CCc1c(C)nn(Cc2cc(C(=O)NN)ccc2F)c1C.
What is the InChIKey of 3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide?
The InChIKey is QPXJQFKYZJLCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-4-13-9(2)19-20(10(13)3)8-12-7-11(15(21)18-17)5-6-14(12)16/h5-7H,4,8,17H2,1-3H3,(H,18,21).
What are the key properties of 3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide?
3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide has a molecular weight of 290.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107458941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).