3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine

C10H15N3 — CID 114498104

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine
SMILESCCn1cc(C#CCNC)c(C)n1
InChIInChI=1S/C10H15N3/c1-4-13-8-10(9(2)12-13)6-5-7-11-3/h8,11H,4,7H2,1-3H3
InChIKeyAHESMJJUPGDUFX-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.78
Rot. Bonds2

About 3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine

3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine (PubChem CID 114498104) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine
PubChem CID114498104
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine
SMILESCCn1cc(C#CCNC)c(C)n1
InChIInChI=1S/C10H15N3/c1-4-13-8-10(9(2)12-13)6-5-7-11-3/h8,11H,4,7H2,1-3H3
InChIKeyAHESMJJUPGDUFX-UHFFFAOYSA-N
XLogP0.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.78
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-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine?
The IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine (CID 114498104) is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine is CCn1cc(C#CCNC)c(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine?
The InChIKey is AHESMJJUPGDUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-13-8-10(9(2)12-13)6-5-7-11-3/h8,11H,4,7H2,1-3H3.
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine?
3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine has a molecular weight of 177.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 114498104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).