4-fluoro-5-methylpyrazole-1,3-diamine

C4H7FN4 — CID 143079570

IUPAC4-fluoro-5-methylpyrazole-1,3-diamine
SMILESCc1c(F)c(N)nn1N
InChIInChI=1S/C4H7FN4/c1-2-3(5)4(6)8-9(2)7/h7H2,1H3,(H2,6,8)
InChIKeyVZRSIAGXMWOLEN-UHFFFAOYSA-N
MW130.13 g/mol
LogP-0.37
Rot. Bonds

About 4-fluoro-5-methylpyrazole-1,3-diamine

4-fluoro-5-methylpyrazole-1,3-diamine (PubChem CID 143079570) has the molecular formula C4H7FN4 and a molecular weight of 130.13 g/mol. Its IUPAC name is 4-fluoro-5-methylpyrazole-1,3-diamine.

Molecular Properties

Compound Name4-fluoro-5-methylpyrazole-1,3-diamine
PubChem CID143079570
Molecular FormulaC4H7FN4
Molecular Weight130.13 g/mol
Exact Mass130.07
IUPAC Name4-fluoro-5-methylpyrazole-1,3-diamine
SMILESCc1c(F)c(N)nn1N
InChIInChI=1S/C4H7FN4/c1-2-3(5)4(6)8-9(2)7/h7H2,1H3,(H2,6,8)
InChIKeyVZRSIAGXMWOLEN-UHFFFAOYSA-N
XLogP-0.37
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methylpyrazole-1,3-diamine?
The IUPAC name of 4-fluoro-5-methylpyrazole-1,3-diamine (CID 143079570) is 4-fluoro-5-methylpyrazole-1,3-diamine.
What is the SMILES notation for 4-fluoro-5-methylpyrazole-1,3-diamine?
The canonical SMILES for 4-fluoro-5-methylpyrazole-1,3-diamine is Cc1c(F)c(N)nn1N.
What is the InChIKey of 4-fluoro-5-methylpyrazole-1,3-diamine?
The InChIKey is VZRSIAGXMWOLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN4/c1-2-3(5)4(6)8-9(2)7/h7H2,1H3,(H2,6,8).
What are the key properties of 4-fluoro-5-methylpyrazole-1,3-diamine?
4-fluoro-5-methylpyrazole-1,3-diamine has a molecular weight of 130.13 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methylpyrazole-1,3-diamine is sourced from PubChem (CID 143079570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).