1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine

C13H20FN5 — CID 122169272

IUPAC1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine
SMILESCCn1cc(C)c(NCc2c(C)nn(CC)c2F)n1
InChIInChI=1S/C13H20FN5/c1-5-18-8-9(3)13(17-18)15-7-11-10(4)16-19(6-2)12(11)14/h8H,5-7H2,1-4H3,(H,15,17)
InChIKeyUYSBSEZGRJZRNT-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.49
Rot. Bonds5

About 1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine

1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine (PubChem CID 122169272) has the molecular formula C13H20FN5 and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine
PubChem CID122169272
Molecular FormulaC13H20FN5
Molecular Weight265.34 g/mol
Exact Mass265.17
IUPAC Name1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine
SMILESCCn1cc(C)c(NCc2c(C)nn(CC)c2F)n1
InChIInChI=1S/C13H20FN5/c1-5-18-8-9(3)13(17-18)15-7-11-10(4)16-19(6-2)12(11)14/h8H,5-7H2,1-4H3,(H,15,17)
InChIKeyUYSBSEZGRJZRNT-UHFFFAOYSA-N
XLogP2.49
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine?
The IUPAC name of 1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine (CID 122169272) is 1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine?
The canonical SMILES for 1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine is CCn1cc(C)c(NCc2c(C)nn(CC)c2F)n1.
What is the InChIKey of 1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine?
The InChIKey is UYSBSEZGRJZRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5/c1-5-18-8-9(3)13(17-18)15-7-11-10(4)16-19(6-2)12(11)14/h8H,5-7H2,1-4H3,(H,15,17).
What are the key properties of 1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine?
1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine has a molecular weight of 265.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-4-methylpyrazol-3-amine is sourced from PubChem (CID 122169272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).