4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine

C11H13F2N5 — CID 105230790

IUPAC4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(C(NN)c2cccc(F)c2F)c1N
InChIInChI=1S/C11H13F2N5/c1-18-11(14)7(5-16-18)10(17-15)6-3-2-4-8(12)9(6)13/h2-5,10,17H,14-15H2,1H3
InChIKeyRJQOYSHBBKYYJF-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.83
Rot. Bonds3

About 4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine

4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine (PubChem CID 105230790) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
PubChem CID105230790
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(C(NN)c2cccc(F)c2F)c1N
InChIInChI=1S/C11H13F2N5/c1-18-11(14)7(5-16-18)10(17-15)6-3-2-4-8(12)9(6)13/h2-5,10,17H,14-15H2,1H3
InChIKeyRJQOYSHBBKYYJF-UHFFFAOYSA-N
XLogP0.83
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.83
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-[(2-chlorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230692
4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine
CID 103140237
4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230723
[(2,3-difluorophenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279808
4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine
CID 105230863
1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 103924707
[(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228669
4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine
CID 105231007
4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230905
4-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]-1-methylpyrazol-5-amine
CID 103140235
[(1R)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 124510602
[(2,3-difluorophenyl)-pyridin-4-ylmethyl]hydrazine
CID 105196453

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine (CID 105230790) is 4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine is Cn1ncc(C(NN)c2cccc(F)c2F)c1N.
What is the InChIKey of 4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
The InChIKey is RJQOYSHBBKYYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5/c1-18-11(14)7(5-16-18)10(17-15)6-3-2-4-8(12)9(6)13/h2-5,10,17H,14-15H2,1H3.
What are the key properties of 4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine has a molecular weight of 253.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 105230790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).