1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C8H11N5O — CID 61325190

IUPAC1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(-c2cnn(C)c2)n1
InChIInChI=1S/C8H11N5O/c1-5(9)7-11-8(14-12-7)6-3-10-13(2)4-6/h3-5H,9H2,1-2H3
InChIKeyQHHYQUOUHSNSFI-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.49
Rot. Bonds2

About 1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine

1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61325190) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61325190
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(-c2cnn(C)c2)n1
InChIInChI=1S/C8H11N5O/c1-5(9)7-11-8(14-12-7)6-3-10-13(2)4-6/h3-5H,9H2,1-2H3
InChIKeyQHHYQUOUHSNSFI-UHFFFAOYSA-N
XLogP0.49
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-1H-pyrazol-5-amine
CID 29044722
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 53564386
5-Ethyl-3-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 53597774
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 53599226
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53626016
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 56780227
5-Methyl-3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 72141415
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 91917599
2-[5-(1-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane
CID 75451169
3-[5-(1-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 75480427
1-{2-[5-(1-isopropyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}-2-pyrrolidinone
CID 28311617
1-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 45826733

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 61325190) is 1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(N)c1noc(-c2cnn(C)c2)n1.
What is the InChIKey of 1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is QHHYQUOUHSNSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5(9)7-11-8(14-12-7)6-3-10-13(2)4-6/h3-5H,9H2,1-2H3.
What are the key properties of 1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 193.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61325190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).