1-methyl-3-pentan-3-ylpyrazol-5-amine

C9H17N3 — CID 43158847

IUPAC1-methyl-3-pentan-3-ylpyrazol-5-amine
SMILESCCC(CC)c1cc(N)n(C)n1
InChIInChI=1S/C9H17N3/c1-4-7(5-2)8-6-9(10)12(3)11-8/h6-7H,4-5,10H2,1-3H3
InChIKeyJUEJZOXKPJXCDA-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.91
Rot. Bonds3

About 1-methyl-3-pentan-3-ylpyrazol-5-amine

1-methyl-3-pentan-3-ylpyrazol-5-amine (PubChem CID 43158847) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-methyl-3-pentan-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-pentan-3-ylpyrazol-5-amine
PubChem CID43158847
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-methyl-3-pentan-3-ylpyrazol-5-amine
SMILESCCC(CC)c1cc(N)n(C)n1
InChIInChI=1S/C9H17N3/c1-4-7(5-2)8-6-9(10)12(3)11-8/h6-7H,4-5,10H2,1-3H3
InChIKeyJUEJZOXKPJXCDA-UHFFFAOYSA-N
XLogP1.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pentan-3-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-pentan-3-ylpyrazol-5-amine (CID 43158847) is 1-methyl-3-pentan-3-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-pentan-3-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-pentan-3-ylpyrazol-5-amine is CCC(CC)c1cc(N)n(C)n1.
What is the InChIKey of 1-methyl-3-pentan-3-ylpyrazol-5-amine?
The InChIKey is JUEJZOXKPJXCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-7(5-2)8-6-9(10)12(3)11-8/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 1-methyl-3-pentan-3-ylpyrazol-5-amine?
1-methyl-3-pentan-3-ylpyrazol-5-amine has a molecular weight of 167.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pentan-3-ylpyrazol-5-amine is sourced from PubChem (CID 43158847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).