N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine

C14H25N3O — CID 64799314

IUPACN-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESCCC(C)n1ccc(CNCC2CCCOC2)n1
InChIInChI=1S/C14H25N3O/c1-3-12(2)17-7-6-14(16-17)10-15-9-13-5-4-8-18-11-13/h6-7,12-13,15H,3-5,8-11H2,1-2H3
InChIKeyWWSQZIQYHSRVSG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.37
Rot. Bonds6

About N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine (PubChem CID 64799314) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
PubChem CID64799314
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESCCC(C)n1ccc(CNCC2CCCOC2)n1
InChIInChI=1S/C14H25N3O/c1-3-12(2)17-7-6-14(16-17)10-15-9-13-5-4-8-18-11-13/h6-7,12-13,15H,3-5,8-11H2,1-2H3
InChIKeyWWSQZIQYHSRVSG-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 78921663
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine
CID 64801820
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 64800468
[2-(1-butan-2-ylpyrazol-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229429
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 103660129
[1-(oxan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105230091
1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64770921
1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61019320
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114616836
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(chloromethyl)cyclohexan-1-amine
CID 112752753

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine (CID 64799314) is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine is CCC(C)n1ccc(CNCC2CCCOC2)n1.
What is the InChIKey of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is WWSQZIQYHSRVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-12(2)17-7-6-14(16-17)10-15-9-13-5-4-8-18-11-13/h6-7,12-13,15H,3-5,8-11H2,1-2H3.
What are the key properties of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine?
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine has a molecular weight of 251.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 64799314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).