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

C8H15N3 — CID 3160221

IUPAC2-(3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCc1cc(C)n(C(C)CN)n1
InChIInChI=1S/C8H15N3/c1-6-4-7(2)11(10-6)8(3)5-9/h4,8H,5,9H2,1-3H3
InChIKeySZPITZCIPRYHOB-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.02
Rot. Bonds2

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

2-(3,5-dimethylpyrazol-1-yl)propan-1-amine (PubChem CID 3160221) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)propan-1-amine
PubChem CID3160221
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCc1cc(C)n(C(C)CN)n1
InChIInChI=1S/C8H15N3/c1-6-4-7(2)11(10-6)8(3)5-9/h4,8H,5,9H2,1-3H3
InChIKeySZPITZCIPRYHOB-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)propan-1-amine (CID 3160221) is 2-(3,5-dimethylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)propan-1-amine is Cc1cc(C)n(C(C)CN)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The InChIKey is SZPITZCIPRYHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6-4-7(2)11(10-6)8(3)5-9/h4,8H,5,9H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
2-(3,5-dimethylpyrazol-1-yl)propan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 3160221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).