1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine

C13H20N4O — CID 64800108

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCCC(C)n1ccc(CNCc2cc(C)no2)n1
InChIInChI=1S/C13H20N4O/c1-4-11(3)17-6-5-12(15-17)8-14-9-13-7-10(2)16-18-13/h5-7,11,14H,4,8-9H2,1-3H3
InChIKeyVXDRYZJHOSYHSE-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.44
Rot. Bonds6

About 1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine

1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 64800108) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID64800108
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCCC(C)n1ccc(CNCc2cc(C)no2)n1
InChIInChI=1S/C13H20N4O/c1-4-11(3)17-6-5-12(15-17)8-14-9-13-7-10(2)16-18-13/h5-7,11,14H,4,8-9H2,1-3H3
InChIKeyVXDRYZJHOSYHSE-UHFFFAOYSA-N
XLogP2.44
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 64771454
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 66091379
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64800314
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 64771268
4-bromo-N-[(1-butan-2-ylpyrazol-3-yl)methyl]butan-2-amine
CID 83188395
4-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380861
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66415770
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine
CID 64801820
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 64799338
[1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol
CID 115454619
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-chlorobutan-2-amine
CID 65026559

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine (CID 64800108) is 1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine is CCC(C)n1ccc(CNCc2cc(C)no2)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is VXDRYZJHOSYHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-11(3)17-6-5-12(15-17)8-14-9-13-7-10(2)16-18-13/h5-7,11,14H,4,8-9H2,1-3H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 248.33 g/mol, XLogP of 2.44, 6 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)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 64800108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).