3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine

C11H17N3 — CID 63810880

IUPAC3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine
SMILESCCCn1nc(C)c(C#CCN)c1C
InChIInChI=1S/C11H17N3/c1-4-8-14-10(3)11(6-5-7-12)9(2)13-14/h4,7-8,12H2,1-3H3
InChIKeyRESYFHFJXUNPRA-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.22
Rot. Bonds2

About 3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine

3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine (PubChem CID 63810880) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine
PubChem CID63810880
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine
SMILESCCCn1nc(C)c(C#CCN)c1C
InChIInChI=1S/C11H17N3/c1-4-8-14-10(3)11(6-5-7-12)9(2)13-14/h4,7-8,12H2,1-3H3
InChIKeyRESYFHFJXUNPRA-UHFFFAOYSA-N
XLogP1.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine (CID 63810880) is 3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine is CCCn1nc(C)c(C#CCN)c1C.
What is the InChIKey of 3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine?
The InChIKey is RESYFHFJXUNPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-8-14-10(3)11(6-5-7-12)9(2)13-14/h4,7-8,12H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine?
3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-propylpyrazol-4-yl)prop-2-yn-1-amine is sourced from PubChem (CID 63810880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).