3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine

C16H22N4O — CID 103164049

IUPAC3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCCOC1CC(Cc2nn(C)c(N)c2-c2cccnc2)C1
InChIInChI=1S/C16H22N4O/c1-3-21-13-7-11(8-13)9-14-15(16(17)20(2)19-14)12-5-4-6-18-10-12/h4-6,10-11,13H,3,7-9,17H2,1-2H3
InChIKeyYLWMLODBTIATNU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.42
Rot. Bonds5

About 3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine

3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine (PubChem CID 103164049) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine
PubChem CID103164049
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCCOC1CC(Cc2nn(C)c(N)c2-c2cccnc2)C1
InChIInChI=1S/C16H22N4O/c1-3-21-13-7-11(8-13)9-14-15(16(17)20(2)19-14)12-5-4-6-18-10-12/h4-6,10-11,13H,3,7-9,17H2,1-2H3
InChIKeyYLWMLODBTIATNU-UHFFFAOYSA-N
XLogP2.42
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine (CID 103164049) is 3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine is CCOC1CC(Cc2nn(C)c(N)c2-c2cccnc2)C1.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The InChIKey is YLWMLODBTIATNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-21-13-7-11(8-13)9-14-15(16(17)20(2)19-14)12-5-4-6-18-10-12/h4-6,10-11,13H,3,7-9,17H2,1-2H3.
What are the key properties of 3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine has a molecular weight of 286.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycyclobutyl)methyl]-1-methyl-4-pyridin-3-ylpyrazol-5-amine is sourced from PubChem (CID 103164049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).