1,4-dimethylpyrazol-3-amine

C5H9N3 — CID 12847949

IUPAC1,4-dimethylpyrazol-3-amine
SMILESCc1cn(C)nc1N
InChIInChI=1S/C5H9N3/c1-4-3-8(2)7-5(4)6/h3H,1-2H3,(H2,6,7)
InChIKeyGZJVUJXNJCCGEC-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.31
Rot. Bonds

About 1,4-dimethylpyrazol-3-amine

1,4-dimethylpyrazol-3-amine (PubChem CID 12847949) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1,4-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name1,4-dimethylpyrazol-3-amine
PubChem CID12847949
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1,4-dimethylpyrazol-3-amine
SMILESCc1cn(C)nc1N
InChIInChI=1S/C5H9N3/c1-4-3-8(2)7-5(4)6/h3H,1-2H3,(H2,6,7)
InChIKeyGZJVUJXNJCCGEC-UHFFFAOYSA-N
XLogP0.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrazol-3-amine?
The IUPAC name of 1,4-dimethylpyrazol-3-amine (CID 12847949) is 1,4-dimethylpyrazol-3-amine.
What is the SMILES notation for 1,4-dimethylpyrazol-3-amine?
The canonical SMILES for 1,4-dimethylpyrazol-3-amine is Cc1cn(C)nc1N.
What is the InChIKey of 1,4-dimethylpyrazol-3-amine?
The InChIKey is GZJVUJXNJCCGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-4-3-8(2)7-5(4)6/h3H,1-2H3,(H2,6,7).
What are the key properties of 1,4-dimethylpyrazol-3-amine?
1,4-dimethylpyrazol-3-amine has a molecular weight of 111.15 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrazol-3-amine is sourced from PubChem (CID 12847949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).