2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine

C15H22N4O — CID 105154650

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
SMILESCCC(C)n1ccc(CC(N)c2cccnc2OC)n1
InChIInChI=1S/C15H22N4O/c1-4-11(2)19-9-7-12(18-19)10-14(16)13-6-5-8-17-15(13)20-3/h5-9,11,14H,4,10,16H2,1-3H3
InChIKeyAJRYPQLGVAIYSG-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.50
Rot. Bonds6

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine

2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine (PubChem CID 105154650) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
PubChem CID105154650
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
SMILESCCC(C)n1ccc(CC(N)c2cccnc2OC)n1
InChIInChI=1S/C15H22N4O/c1-4-11(2)19-9-7-12(18-19)10-14(16)13-6-5-8-17-15(13)20-3/h5-9,11,14H,4,10,16H2,1-3H3
InChIKeyAJRYPQLGVAIYSG-UHFFFAOYSA-N
XLogP2.50
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine
CID 64785495
2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105101378
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105154687
1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105158960
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530162
2-(5-ethylthiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105135936
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine
CID 112735847
3-butan-2-yl-2-methoxypyridine
CID 130368185
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105159798
2-cyclopropyl-1-(2-methoxy-3-pyridinyl)ethanamine
CID 55297501
3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine
CID 64777550

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine (CID 105154650) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine is CCC(C)n1ccc(CC(N)c2cccnc2OC)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine?
The InChIKey is AJRYPQLGVAIYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-11(2)19-9-7-12(18-19)10-14(16)13-6-5-8-17-15(13)20-3/h5-9,11,14H,4,10,16H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 105154650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).