1-propan-2-ylpyrazol-3-amine

C6H11N3 — CID 19576797

IUPAC1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1ccc(N)n1
InChIInChI=1S/C6H11N3/c1-5(2)9-4-3-6(7)8-9/h3-5H,1-2H3,(H2,7,8)
InChIKeyMECWXEINLHIGIW-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.05
Rot. Bonds1

About 1-propan-2-ylpyrazol-3-amine

1-propan-2-ylpyrazol-3-amine (PubChem CID 19576797) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-propan-2-ylpyrazol-3-amine
PubChem CID19576797
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1ccc(N)n1
InChIInChI=1S/C6H11N3/c1-5(2)9-4-3-6(7)8-9/h3-5H,1-2H3,(H2,7,8)
InChIKeyMECWXEINLHIGIW-UHFFFAOYSA-N
XLogP1.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrazol-3-amine?
The IUPAC name of 1-propan-2-ylpyrazol-3-amine (CID 19576797) is 1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 1-propan-2-ylpyrazol-3-amine is CC(C)n1ccc(N)n1.
What is the InChIKey of 1-propan-2-ylpyrazol-3-amine?
The InChIKey is MECWXEINLHIGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)9-4-3-6(7)8-9/h3-5H,1-2H3,(H2,7,8).
What are the key properties of 1-propan-2-ylpyrazol-3-amine?
1-propan-2-ylpyrazol-3-amine has a molecular weight of 125.17 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 19576797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).