2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine

C14H21N5 — CID 64777624

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine
SMILESCCC(C)n1ccc(CC(NC)c2cnccn2)n1
InChIInChI=1S/C14H21N5/c1-4-11(2)19-8-5-12(18-19)9-13(15-3)14-10-16-6-7-17-14/h5-8,10-11,13,15H,4,9H2,1-3H3
InChIKeyJLZNODUOXDMKMI-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.15
Rot. Bonds6

About 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine

2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine (PubChem CID 64777624) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine
PubChem CID64777624
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine
SMILESCCC(C)n1ccc(CC(NC)c2cnccn2)n1
InChIInChI=1S/C14H21N5/c1-4-11(2)19-8-5-12(18-19)9-13(15-3)14-10-16-6-7-17-14/h5-8,10-11,13,15H,4,9H2,1-3H3
InChIKeyJLZNODUOXDMKMI-UHFFFAOYSA-N
XLogP2.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 64770855
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105154726
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105154754
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923494
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503581
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-pyrimidin-4-ylethanamine
CID 64778037
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-iodophenyl)-N-methylethanamine
CID 104989834
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-fluorophenyl)-N-methylethanamine
CID 64785858
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 104989847
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dimethylphenyl)-N-methylethanamine
CID 104989612
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 104804919

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine (CID 64777624) is 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine is CCC(C)n1ccc(CC(NC)c2cnccn2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine?
The InChIKey is JLZNODUOXDMKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-11(2)19-8-5-12(18-19)9-13(15-3)14-10-16-6-7-17-14/h5-8,10-11,13,15H,4,9H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine has a molecular weight of 259.36 g/mol, XLogP of 2.15, 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)-N-methyl-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 64777624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).