2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine

C9H17N3 — CID 6492579

IUPAC2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
SMILESCc1nn(C(C)CN)c(C)c1C
InChIInChI=1S/C9H17N3/c1-6(5-10)12-9(4)7(2)8(3)11-12/h6H,5,10H2,1-4H3
InChIKeyNURZZGIBYZUVBI-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.33
Rot. Bonds2

About 2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine

2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine (PubChem CID 6492579) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
PubChem CID6492579
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
SMILESCc1nn(C(C)CN)c(C)c1C
InChIInChI=1S/C9H17N3/c1-6(5-10)12-9(4)7(2)8(3)11-12/h6H,5,10H2,1-4H3
InChIKeyNURZZGIBYZUVBI-UHFFFAOYSA-N
XLogP1.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine (CID 6492579) is 2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine is Cc1nn(C(C)CN)c(C)c1C.
What is the InChIKey of 2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
The InChIKey is NURZZGIBYZUVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(5-10)12-9(4)7(2)8(3)11-12/h6H,5,10H2,1-4H3.
What are the key properties of 2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 6492579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).