5-ethynyl-1,3-dimethylpyrazol-4-amine

C7H9N3 — CID 45079261

IUPAC5-ethynyl-1,3-dimethylpyrazol-4-amine
SMILESC#Cc1c(N)c(C)nn1C
InChIInChI=1S/C7H9N3/c1-4-6-7(8)5(2)9-10(6)3/h1H,8H2,2-3H3
InChIKeyGLWROZXRTBXSTP-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.29
Rot. Bonds

About 5-ethynyl-1,3-dimethylpyrazol-4-amine

5-ethynyl-1,3-dimethylpyrazol-4-amine (PubChem CID 45079261) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 5-ethynyl-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-ethynyl-1,3-dimethylpyrazol-4-amine
PubChem CID45079261
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name5-ethynyl-1,3-dimethylpyrazol-4-amine
SMILESC#Cc1c(N)c(C)nn1C
InChIInChI=1S/C7H9N3/c1-4-6-7(8)5(2)9-10(6)3/h1H,8H2,2-3H3
InChIKeyGLWROZXRTBXSTP-UHFFFAOYSA-N
XLogP0.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-ethynyl-1,3-dimethylpyrazol-4-amine (CID 45079261) is 5-ethynyl-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-ethynyl-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-ethynyl-1,3-dimethylpyrazol-4-amine is C#Cc1c(N)c(C)nn1C.
What is the InChIKey of 5-ethynyl-1,3-dimethylpyrazol-4-amine?
The InChIKey is GLWROZXRTBXSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-4-6-7(8)5(2)9-10(6)3/h1H,8H2,2-3H3.
What are the key properties of 5-ethynyl-1,3-dimethylpyrazol-4-amine?
5-ethynyl-1,3-dimethylpyrazol-4-amine has a molecular weight of 135.17 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 45079261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).