5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine

C13H23N3O — CID 75497926

IUPAC5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NC(C)C2CCOCC2)c1C
InChIInChI=1S/C13H23N3O/c1-4-12-9(2)13(16-15-12)14-10(3)11-5-7-17-8-6-11/h10-11H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyTXFOLKQIBFTATH-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.51
Rot. Bonds4

About 5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine

5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine (PubChem CID 75497926) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine
PubChem CID75497926
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NC(C)C2CCOCC2)c1C
InChIInChI=1S/C13H23N3O/c1-4-12-9(2)13(16-15-12)14-10(3)11-5-7-17-8-6-11/h10-11H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyTXFOLKQIBFTATH-UHFFFAOYSA-N
XLogP2.51
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine (CID 75497926) is 5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine is CCc1[nH]nc(NC(C)C2CCOCC2)c1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine?
The InChIKey is TXFOLKQIBFTATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-12-9(2)13(16-15-12)14-10(3)11-5-7-17-8-6-11/h10-11H,4-8H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine?
5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine has a molecular weight of 237.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 75497926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).