4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine

C12H16FN5O — CID 105230905

IUPAC4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
SMILESCOc1ccc(C(NN)c2cnn(C)c2N)cc1F
InChIInChI=1S/C12H16FN5O/c1-18-12(14)8(6-16-18)11(17-15)7-3-4-10(19-2)9(13)5-7/h3-6,11,17H,14-15H2,1-2H3
InChIKeyCPPYZIYSQTYMAN-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.70
Rot. Bonds4

About 4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine

4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine (PubChem CID 105230905) has the molecular formula C12H16FN5O and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
PubChem CID105230905
Molecular FormulaC12H16FN5O
Molecular Weight265.29 g/mol
Exact Mass265.13
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
SMILESCOc1ccc(C(NN)c2cnn(C)c2N)cc1F
InChIInChI=1S/C12H16FN5O/c1-18-12(14)8(6-16-18)11(17-15)7-3-4-10(19-2)9(13)5-7/h3-6,11,17H,14-15H2,1-2H3
InChIKeyCPPYZIYSQTYMAN-UHFFFAOYSA-N
XLogP0.70
TPSA91.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105303933
4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 103524627
[(3-fluoro-4-methoxyphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288596
[(2,5-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105292610
[(3-ethyl-4-pyridinyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105262239
4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230790
[(3-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106649927
[(2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105260791
[(3-chloro-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105223421
4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230723
[(3,5-dimethyl-2-pyridinyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105266471
[1-benzothiophen-3-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105303991

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine (CID 105230905) is 4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine is COc1ccc(C(NN)c2cnn(C)c2N)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
The InChIKey is CPPYZIYSQTYMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O/c1-18-12(14)8(6-16-18)11(17-15)7-3-4-10(19-2)9(13)5-7/h3-6,11,17H,14-15H2,1-2H3.
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine has a molecular weight of 265.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 105230905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).