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

C8H15N3 — CID 2056783

IUPAC3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCc1cc(C)n(CCCN)n1
InChIInChI=1S/C8H15N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3-5,9H2,1-2H3
InChIKeyAFJVVHQSOQPLOC-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.85
Rot. Bonds3

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

3-(3,5-dimethylpyrazol-1-yl)propan-1-amine (PubChem CID 2056783) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
PubChem CID2056783
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCc1cc(C)n(CCCN)n1
InChIInChI=1S/C8H15N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3-5,9H2,1-2H3
InChIKeyAFJVVHQSOQPLOC-UHFFFAOYSA-N
XLogP0.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine (CID 2056783) is 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine is Cc1cc(C)n(CCCN)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The InChIKey is AFJVVHQSOQPLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3-5,9H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)propan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 2056783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).