N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine

C12H19N5O — CID 113248219

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
SMILESCc1nc(CNCc2cn(C)nc2C(C)C)no1
InChIInChI=1S/C12H19N5O/c1-8(2)12-10(7-17(4)15-12)5-13-6-11-14-9(3)18-16-11/h7-8,13H,5-6H2,1-4H3
InChIKeyHVIVVWUQWOOMOM-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.52
Rot. Bonds5

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine (PubChem CID 113248219) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
PubChem CID113248219
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
SMILESCc1nc(CNCc2cn(C)nc2C(C)C)no1
InChIInChI=1S/C12H19N5O/c1-8(2)12-10(7-17(4)15-12)5-13-6-11-14-9(3)18-16-11/h7-8,13H,5-6H2,1-4H3
InChIKeyHVIVVWUQWOOMOM-UHFFFAOYSA-N
XLogP1.52
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine with MolForge

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Related Compounds

1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107234153
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 103721585
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 43755117
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43755432
[4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107229813
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 113229292
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 103721615
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentan-1-amine
CID 54893522
N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 43758950
2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
CID 107911870

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine (CID 113248219) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine is Cc1nc(CNCc2cn(C)nc2C(C)C)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine?
The InChIKey is HVIVVWUQWOOMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8(2)12-10(7-17(4)15-12)5-13-6-11-14-9(3)18-16-11/h7-8,13H,5-6H2,1-4H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine has a molecular weight of 249.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 113248219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).