3-methyl-1-pentan-3-ylpyrazol-4-amine

C9H17N3 — CID 79421536

IUPAC3-methyl-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(C)n1
InChIInChI=1S/C9H17N3/c1-4-8(5-2)12-6-9(10)7(3)11-12/h6,8H,4-5,10H2,1-3H3
InChIKeySDNLMOWEEWEKQL-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.13
Rot. Bonds3

About 3-methyl-1-pentan-3-ylpyrazol-4-amine

3-methyl-1-pentan-3-ylpyrazol-4-amine (PubChem CID 79421536) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-methyl-1-pentan-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-pentan-3-ylpyrazol-4-amine
PubChem CID79421536
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-methyl-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(C)n1
InChIInChI=1S/C9H17N3/c1-4-8(5-2)12-6-9(10)7(3)11-12/h6,8H,4-5,10H2,1-3H3
InChIKeySDNLMOWEEWEKQL-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pentan-3-ylpyrazol-4-amine?
The IUPAC name of 3-methyl-1-pentan-3-ylpyrazol-4-amine (CID 79421536) is 3-methyl-1-pentan-3-ylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-pentan-3-ylpyrazol-4-amine?
The canonical SMILES for 3-methyl-1-pentan-3-ylpyrazol-4-amine is CCC(CC)n1cc(N)c(C)n1.
What is the InChIKey of 3-methyl-1-pentan-3-ylpyrazol-4-amine?
The InChIKey is SDNLMOWEEWEKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-8(5-2)12-6-9(10)7(3)11-12/h6,8H,4-5,10H2,1-3H3.
What are the key properties of 3-methyl-1-pentan-3-ylpyrazol-4-amine?
3-methyl-1-pentan-3-ylpyrazol-4-amine has a molecular weight of 167.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pentan-3-ylpyrazol-4-amine is sourced from PubChem (CID 79421536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).