3,5-dimethylpyrazol-1-amine

C5H9N3 — CID 13483630

IUPAC3,5-dimethylpyrazol-1-amine
SMILESCc1cc(C)n(N)n1
InChIInChI=1S/C5H9N3/c1-4-3-5(2)8(6)7-4/h3H,6H2,1-2H3
InChIKeyKZHPZRFQSCJEHT-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.21
Rot. Bonds

About 3,5-dimethylpyrazol-1-amine

3,5-dimethylpyrazol-1-amine (PubChem CID 13483630) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 3,5-dimethylpyrazol-1-amine.

Molecular Properties

Compound Name3,5-dimethylpyrazol-1-amine
PubChem CID13483630
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name3,5-dimethylpyrazol-1-amine
SMILESCc1cc(C)n(N)n1
InChIInChI=1S/C5H9N3/c1-4-3-5(2)8(6)7-4/h3H,6H2,1-2H3
InChIKeyKZHPZRFQSCJEHT-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylpyrazol-1-amine?
The IUPAC name of 3,5-dimethylpyrazol-1-amine (CID 13483630) is 3,5-dimethylpyrazol-1-amine.
What is the SMILES notation for 3,5-dimethylpyrazol-1-amine?
The canonical SMILES for 3,5-dimethylpyrazol-1-amine is Cc1cc(C)n(N)n1.
What is the InChIKey of 3,5-dimethylpyrazol-1-amine?
The InChIKey is KZHPZRFQSCJEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-4-3-5(2)8(6)7-4/h3H,6H2,1-2H3.
What are the key properties of 3,5-dimethylpyrazol-1-amine?
3,5-dimethylpyrazol-1-amine has a molecular weight of 111.15 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylpyrazol-1-amine is sourced from PubChem (CID 13483630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).