1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine

C14H25N3O — CID 64784520

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine
SMILESCCC(C)n1ccc(CC(N)CC2CCCO2)n1
InChIInChI=1S/C14H25N3O/c1-3-11(2)17-7-6-13(16-17)9-12(15)10-14-5-4-8-18-14/h6-7,11-12,14H,3-5,8-10,15H2,1-2H3
InChIKeyAHPIWQCWCPSUSJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.29
Rot. Bonds6

About 1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine (PubChem CID 64784520) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine
PubChem CID64784520
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine
SMILESCCC(C)n1ccc(CC(N)CC2CCCO2)n1
InChIInChI=1S/C14H25N3O/c1-3-11(2)17-7-6-13(16-17)9-12(15)10-14-5-4-8-18-14/h6-7,11-12,14H,3-5,8-10,15H2,1-2H3
InChIKeyAHPIWQCWCPSUSJ-UHFFFAOYSA-N
XLogP2.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-butan-2-ylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105312572
1-(1-methyltriazol-4-yl)-3-(oxan-2-yl)propan-2-amine
CID 107050849
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093134
1-(1-butan-2-ylpyrazol-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135172
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546818
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107189218
1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 104991829
1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 104991709
[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine
CID 105255154
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991809
1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine
CID 64779610

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine (CID 64784520) is 1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine is CCC(C)n1ccc(CC(N)CC2CCCO2)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is AHPIWQCWCPSUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-11(2)17-7-6-13(16-17)9-12(15)10-14-5-4-8-18-14/h6-7,11-12,14H,3-5,8-10,15H2,1-2H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.29, 6 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)-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 64784520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).