1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine

C17H25N3O — CID 64779800

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine
SMILESCCC(C)n1ccc(CC(COc2ccccc2)NC)n1
InChIInChI=1S/C17H25N3O/c1-4-14(2)20-11-10-15(19-20)12-16(18-3)13-21-17-8-6-5-7-9-17/h5-11,14,16,18H,4,12-13H2,1-3H3
InChIKeyILJRDCMHDXZQBQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.06
Rot. Bonds8

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

1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine (PubChem CID 64779800) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine
PubChem CID64779800
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine
SMILESCCC(C)n1ccc(CC(COc2ccccc2)NC)n1
InChIInChI=1S/C17H25N3O/c1-4-14(2)20-11-10-15(19-20)12-16(18-3)13-21-17-8-6-5-7-9-17/h5-11,14,16,18H,4,12-13H2,1-3H3
InChIKeyILJRDCMHDXZQBQ-UHFFFAOYSA-N
XLogP3.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 64783754
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546818
1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol
CID 64785290
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
CID 64786150
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine
CID 64777624
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
CID 64784151
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
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
1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64770857

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine (CID 64779800) is 1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine is CCC(C)n1ccc(CC(COc2ccccc2)NC)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine?
The InChIKey is ILJRDCMHDXZQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-14(2)20-11-10-15(19-20)12-16(18-3)13-21-17-8-6-5-7-9-17/h5-11,14,16,18H,4,12-13H2,1-3H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine is sourced from PubChem (CID 64779800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).