1-(1,5-dimethylpyrazol-3-yl)butan-1-amine

C9H17N3 — CID 82413587

IUPAC1-(1,5-dimethylpyrazol-3-yl)butan-1-amine
SMILESCCCC(N)c1cc(C)n(C)n1
InChIInChI=1S/C9H17N3/c1-4-5-8(10)9-6-7(2)12(3)11-9/h6,8H,4-5,10H2,1-3H3
InChIKeyVTBKBLBOQLNEBT-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.53
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-3-yl)butan-1-amine

1-(1,5-dimethylpyrazol-3-yl)butan-1-amine (PubChem CID 82413587) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)butan-1-amine
PubChem CID82413587
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)butan-1-amine
SMILESCCCC(N)c1cc(C)n(C)n1
InChIInChI=1S/C9H17N3/c1-4-5-8(10)9-6-7(2)12(3)11-9/h6,8H,4-5,10H2,1-3H3
InChIKeyVTBKBLBOQLNEBT-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)butan-1-amine (CID 82413587) is 1-(1,5-dimethylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)butan-1-amine is CCCC(N)c1cc(C)n(C)n1.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)butan-1-amine?
The InChIKey is VTBKBLBOQLNEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-5-8(10)9-6-7(2)12(3)11-9/h6,8H,4-5,10H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)butan-1-amine?
1-(1,5-dimethylpyrazol-3-yl)butan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 82413587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).