2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine

C16H23N3 — CID 64777420

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
SMILESCCC(C)n1ccc(CC(NC)c2ccccc2)n1
InChIInChI=1S/C16H23N3/c1-4-13(2)19-11-10-15(18-19)12-16(17-3)14-8-6-5-7-9-14/h5-11,13,16-17H,4,12H2,1-3H3
InChIKeyFRRMNSGTEMABLY-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.36
Rot. Bonds6

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

2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine (PubChem CID 64777420) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
PubChem CID64777420
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
SMILESCCC(C)n1ccc(CC(NC)c2ccccc2)n1
InChIInChI=1S/C16H23N3/c1-4-13(2)19-11-10-15(18-19)12-16(17-3)14-8-6-5-7-9-14/h5-11,13,16-17H,4,12H2,1-3H3
InChIKeyFRRMNSGTEMABLY-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(3-fluorophenyl)-N-methylethanamine
CID 64785858
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-iodophenyl)-N-methylethanamine
CID 104989834
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503581
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105154726
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105154754
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dimethylphenyl)-N-methylethanamine
CID 104989612
1-(3-bromo-5-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)-N-methylethanamine
CID 66425234
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 64785505
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 104989847
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine
CID 64777624
1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine
CID 64779800
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-phenylethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine (CID 64777420) is 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine is CCC(C)n1ccc(CC(NC)c2ccccc2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine?
The InChIKey is FRRMNSGTEMABLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-13(2)19-11-10-15(18-19)12-16(17-3)14-8-6-5-7-9-14/h5-11,13,16-17H,4,12H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine is sourced from PubChem (CID 64777420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).