4-methyl-1-prop-2-ynylpyrazol-3-amine

C7H9N3 — CID 166838104

IUPAC4-methyl-1-prop-2-ynylpyrazol-3-amine
SMILESC#CCn1cc(C)c(N)n1
InChIInChI=1S/C7H9N3/c1-3-4-10-5-6(2)7(8)9-10/h1,5H,4H2,2H3,(H2,8,9)
InChIKeyBXSPDQZDQIZTJZ-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.41
Rot. Bonds1

About 4-methyl-1-prop-2-ynylpyrazol-3-amine

4-methyl-1-prop-2-ynylpyrazol-3-amine (PubChem CID 166838104) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 4-methyl-1-prop-2-ynylpyrazol-3-amine.

Molecular Properties

Compound Name4-methyl-1-prop-2-ynylpyrazol-3-amine
PubChem CID166838104
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name4-methyl-1-prop-2-ynylpyrazol-3-amine
SMILESC#CCn1cc(C)c(N)n1
InChIInChI=1S/C7H9N3/c1-3-4-10-5-6(2)7(8)9-10/h1,5H,4H2,2H3,(H2,8,9)
InChIKeyBXSPDQZDQIZTJZ-UHFFFAOYSA-N
XLogP0.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.41
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 4-methyl-1-prop-2-ynylpyrazol-3-amine?
The IUPAC name of 4-methyl-1-prop-2-ynylpyrazol-3-amine (CID 166838104) is 4-methyl-1-prop-2-ynylpyrazol-3-amine.
What is the SMILES notation for 4-methyl-1-prop-2-ynylpyrazol-3-amine?
The canonical SMILES for 4-methyl-1-prop-2-ynylpyrazol-3-amine is C#CCn1cc(C)c(N)n1.
What is the InChIKey of 4-methyl-1-prop-2-ynylpyrazol-3-amine?
The InChIKey is BXSPDQZDQIZTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-4-10-5-6(2)7(8)9-10/h1,5H,4H2,2H3,(H2,8,9).
What are the key properties of 4-methyl-1-prop-2-ynylpyrazol-3-amine?
4-methyl-1-prop-2-ynylpyrazol-3-amine has a molecular weight of 135.17 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-prop-2-ynylpyrazol-3-amine is sourced from PubChem (CID 166838104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).