1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine

C6H11FN4 — CID 69050451

IUPAC1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)Nc1cnn(F)c1N
InChIInChI=1S/C6H11FN4/c1-4(2)10-5-3-9-11(7)6(5)8/h3-4,10H,8H2,1-2H3
InChIKeyRWUNBIDUFJOXDL-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.02
Rot. Bonds2

About 1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine

1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine (PubChem CID 69050451) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine
PubChem CID69050451
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)Nc1cnn(F)c1N
InChIInChI=1S/C6H11FN4/c1-4(2)10-5-3-9-11(7)6(5)8/h3-4,10H,8H2,1-2H3
InChIKeyRWUNBIDUFJOXDL-UHFFFAOYSA-N
XLogP1.02
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine (CID 69050451) is 1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine is CC(C)Nc1cnn(F)c1N.
What is the InChIKey of 1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is RWUNBIDUFJOXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c1-4(2)10-5-3-9-11(7)6(5)8/h3-4,10H,8H2,1-2H3.
What are the key properties of 1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine?
1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 158.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-N-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 69050451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).