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

C4H7FN4 — CID 66897439

IUPAC3-fluoro-1-methylpyrazole-4,5-diamine
SMILESCn1nc(F)c(N)c1N
InChIInChI=1S/C4H7FN4/c1-9-4(7)2(6)3(5)8-9/h6-7H2,1H3
InChIKeyRBQQUWQSBCPUKE-UHFFFAOYSA-N
MW130.13 g/mol
LogP-0.28
Rot. Bonds

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

3-fluoro-1-methylpyrazole-4,5-diamine (PubChem CID 66897439) has the molecular formula C4H7FN4 and a molecular weight of 130.13 g/mol. Its IUPAC name is 3-fluoro-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-fluoro-1-methylpyrazole-4,5-diamine
PubChem CID66897439
Molecular FormulaC4H7FN4
Molecular Weight130.13 g/mol
Exact Mass130.07
IUPAC Name3-fluoro-1-methylpyrazole-4,5-diamine
SMILESCn1nc(F)c(N)c1N
InChIInChI=1S/C4H7FN4/c1-9-4(7)2(6)3(5)8-9/h6-7H2,1H3
InChIKeyRBQQUWQSBCPUKE-UHFFFAOYSA-N
XLogP-0.28
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 ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylpyrazole-4,5-diamine?
The IUPAC name of 3-fluoro-1-methylpyrazole-4,5-diamine (CID 66897439) is 3-fluoro-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 3-fluoro-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 3-fluoro-1-methylpyrazole-4,5-diamine is Cn1nc(F)c(N)c1N.
What is the InChIKey of 3-fluoro-1-methylpyrazole-4,5-diamine?
The InChIKey is RBQQUWQSBCPUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN4/c1-9-4(7)2(6)3(5)8-9/h6-7H2,1H3.
What are the key properties of 3-fluoro-1-methylpyrazole-4,5-diamine?
3-fluoro-1-methylpyrazole-4,5-diamine has a molecular weight of 130.13 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66897439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).