N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine

C13H21N5O — CID 43647819

IUPACN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(Cc2nnc(CC)o2)c1C
InChIInChI=1S/C13H21N5O/c1-5-12-15-16-13(19-12)8-18-10(4)11(7-14-6-2)9(3)17-18/h14H,5-8H2,1-4H3
InChIKeyKCQFFZMOQWUMCT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.60
Rot. Bonds6

About N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine

N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine (PubChem CID 43647819) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
PubChem CID43647819
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(Cc2nnc(CC)o2)c1C
InChIInChI=1S/C13H21N5O/c1-5-12-15-16-13(19-12)8-18-10(4)11(7-14-6-2)9(3)17-18/h14H,5-8H2,1-4H3
InChIKeyKCQFFZMOQWUMCT-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
5-Cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide
CID 117792353
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 19282365
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 19282368
2-[(1,3,5-Trimethylpyrazol-4-yl)methylamino]acetamide
CID 28607436
N-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 43214548

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine (CID 43647819) is N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(Cc2nnc(CC)o2)c1C.
What is the InChIKey of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is KCQFFZMOQWUMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-5-12-15-16-13(19-12)8-18-10(4)11(7-14-6-2)9(3)17-18/h14H,5-8H2,1-4H3.
What are the key properties of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 43647819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).