1-(3,5-dimethylpyrazol-1-yl)propan-2-amine

C8H15N3 — CID 6483889

IUPAC1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(CC(C)N)n1
InChIInChI=1S/C8H15N3/c1-6(9)5-11-8(3)4-7(2)10-11/h4,6H,5,9H2,1-3H3
InChIKeyFODFRQFRJYJPSO-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.85
Rot. Bonds2

About 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine

1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (PubChem CID 6483889) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
PubChem CID6483889
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(CC(C)N)n1
InChIInChI=1S/C8H15N3/c1-6(9)5-11-8(3)4-7(2)10-11/h4,6H,5,9H2,1-3H3
InChIKeyFODFRQFRJYJPSO-UHFFFAOYSA-N
XLogP0.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (CID 6483889) is 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is Cc1cc(C)n(CC(C)N)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The InChIKey is FODFRQFRJYJPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(9)5-11-8(3)4-7(2)10-11/h4,6H,5,9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
1-(3,5-dimethylpyrazol-1-yl)propan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 6483889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).