4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine

C12H16FN5 — CID 105230723

IUPAC4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
SMILESCc1ccc(F)cc1C(NN)c1cnn(C)c1N
InChIInChI=1S/C12H16FN5/c1-7-3-4-8(13)5-9(7)11(17-15)10-6-16-18(2)12(10)14/h3-6,11,17H,14-15H2,1-2H3
InChIKeyYIBMECAXFJYXKV-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.00
Rot. Bonds3

About 4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine

4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine (PubChem CID 105230723) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
PubChem CID105230723
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC Name4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
SMILESCc1ccc(F)cc1C(NN)c1cnn(C)c1N
InChIInChI=1S/C12H16FN5/c1-7-3-4-8(13)5-9(7)11(17-15)10-6-16-18(2)12(10)14/h3-6,11,17H,14-15H2,1-2H3
InChIKeyYIBMECAXFJYXKV-UHFFFAOYSA-N
XLogP1.00
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.00
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-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine
CID 105230863
4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230790
4-[(2-chlorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230692
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142484
[(2,5-difluorophenyl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105219377
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114649394
4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230905
3-[(5-amino-1-methylpyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine
CID 105230884
4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
CID 105230777
[(2,3-dichlorophenyl)-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105211607
4-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]-1-methylpyrazol-5-amine
CID 103140235
[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219438

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine (CID 105230723) is 4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine is Cc1ccc(F)cc1C(NN)c1cnn(C)c1N.
What is the InChIKey of 4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
The InChIKey is YIBMECAXFJYXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-7-3-4-8(13)5-9(7)11(17-15)10-6-16-18(2)12(10)14/h3-6,11,17H,14-15H2,1-2H3.
What are the key properties of 4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine has a molecular weight of 249.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 105230723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).