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

C13H21N5O — CID 43647918

IUPACN-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(Cc2nnc(C)o2)c1C
InChIInChI=1S/C13H21N5O/c1-5-6-14-7-12-9(2)17-18(10(12)3)8-13-16-15-11(4)19-13/h14H,5-8H2,1-4H3
InChIKeyLIKWKRZPOSFSSG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.74
Rot. Bonds6

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

N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 43647918) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
PubChem CID43647918
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(Cc2nnc(C)o2)c1C
InChIInChI=1S/C13H21N5O/c1-5-6-14-7-12-9(2)17-18(10(12)3)8-13-16-15-11(4)19-13/h14H,5-8H2,1-4H3
InChIKeyLIKWKRZPOSFSSG-UHFFFAOYSA-N
XLogP1.74
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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~-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N~2~-methyl-L-alaninamide
CID 91838299
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
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 92603471
5-Cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide
CID 117792353
N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 118615622
5-Cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride
CID 130404047
Ethane;2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 164556055

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine (CID 43647918) is N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1c(C)nn(Cc2nnc(C)o2)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is LIKWKRZPOSFSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-5-6-14-7-12-9(2)17-18(10(12)3)8-13-16-15-11(4)19-13/h14H,5-8H2,1-4H3.
What are the key properties of N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 43647918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).