2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine

C8H15N3 — CID 645354

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
SMILESCNCCc1c(C)n[nH]c1C
InChIInChI=1S/C8H15N3/c1-6-8(4-5-9-3)7(2)11-10-6/h9H,4-5H2,1-3H3,(H,10,11)
InChIKeyPEYGUQISYVTMGO-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.79
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine (PubChem CID 645354) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
PubChem CID645354
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
SMILESCNCCc1c(C)n[nH]c1C
InChIInChI=1S/C8H15N3/c1-6-8(4-5-9-3)7(2)11-10-6/h9H,4-5H2,1-3H3,(H,10,11)
InChIKeyPEYGUQISYVTMGO-UHFFFAOYSA-N
XLogP0.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine (CID 645354) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine is CNCCc1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine?
The InChIKey is PEYGUQISYVTMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6-8(4-5-9-3)7(2)11-10-6/h9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 645354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).