1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine

C11H17N5O — CID 43647707

IUPAC1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(Cc2nnc(C)o2)c1C
InChIInChI=1S/C11H17N5O/c1-7-10(5-12-4)8(2)16(15-7)6-11-14-13-9(3)17-11/h12H,5-6H2,1-4H3
InChIKeyJOOQCHMFPIWHMG-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.96
Rot. Bonds4

About 1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine

1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine (PubChem CID 43647707) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine
PubChem CID43647707
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(Cc2nnc(C)o2)c1C
InChIInChI=1S/C11H17N5O/c1-7-10(5-12-4)8(2)16(15-7)6-11-14-13-9(3)17-11/h12H,5-6H2,1-4H3
InChIKeyJOOQCHMFPIWHMG-UHFFFAOYSA-N
XLogP0.96
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine with MolForge

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 49670611
5-[(dimethylamino)methyl]-N-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
CID 56875082
2-pyrrolidin-1-yl-N-[1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 90651232
N~1~-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N~2~-(2-methoxyethyl)-N~2~-methylglycinamide
CID 118774020
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(3-methyl-4,5-dihydro-1H-pyrazol-1-yl)acetamide
CID 56872734
2-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-tert-butyl-1,3,4-oxadiazole
CID 71864005
5-Cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide
CID 117792353
5-Cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride
CID 130404047
2-[(1,3,5-Trimethylpyrazol-4-yl)methylamino]acetamide
CID 28607436
N-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 43214548
N,N-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 43214590
N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 43399930

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine (CID 43647707) is 1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(Cc2nnc(C)o2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is JOOQCHMFPIWHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-10(5-12-4)8(2)16(15-7)6-11-14-13-9(3)17-11/h12H,5-6H2,1-4H3.
What are the key properties of 1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine?
1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 235.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 43647707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).