1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine

C14H25N3O2 — CID 103546818

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
SMILESCCC(C)n1ccc(CC(CC2OCCO2)NC)n1
InChIInChI=1S/C14H25N3O2/c1-4-11(2)17-6-5-12(16-17)9-13(15-3)10-14-18-7-8-19-14/h5-6,11,13-15H,4,7-10H2,1-3H3
InChIKeyYIKNCJOTEIRHFL-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.75
Rot. Bonds7

About 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine (PubChem CID 103546818) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
PubChem CID103546818
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
SMILESCCC(C)n1ccc(CC(CC2OCCO2)NC)n1
InChIInChI=1S/C14H25N3O2/c1-4-11(2)17-6-5-12(16-17)9-13(15-3)10-14-18-7-8-19-14/h5-6,11,13-15H,4,7-10H2,1-3H3
InChIKeyYIKNCJOTEIRHFL-UHFFFAOYSA-N
XLogP1.75
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine with MolForge

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546820
1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 64783754
1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine
CID 64779800
3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722385
[1-(1-butan-2-ylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105312572
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
CID 64786150
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
CID 64784151
N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352897
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 104804919
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine (CID 103546818) is 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine is CCC(C)n1ccc(CC(CC2OCCO2)NC)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine?
The InChIKey is YIKNCJOTEIRHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-11(2)17-6-5-12(16-17)9-13(15-3)10-14-18-7-8-19-14/h5-6,11,13-15H,4,7-10H2,1-3H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 103546818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).