5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

C13H19N5O — CID 65401824

IUPAC5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESCCC1CCCC(c2noc(-c3cc(N)n[nH]3)n2)C1
InChIInChI=1S/C13H19N5O/c1-2-8-4-3-5-9(6-8)12-15-13(19-18-12)10-7-11(14)17-16-10/h7-9H,2-6H2,1H3,(H3,14,16,17)
InChIKeyDUQDNEAIVDZNSW-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.73
Rot. Bonds3

About 5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (PubChem CID 65401824) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
PubChem CID65401824
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESCCC1CCCC(c2noc(-c3cc(N)n[nH]3)n2)C1
InChIInChI=1S/C13H19N5O/c1-2-8-4-3-5-9(6-8)12-15-13(19-18-12)10-7-11(14)17-16-10/h7-9H,2-6H2,1H3,(H3,14,16,17)
InChIKeyDUQDNEAIVDZNSW-UHFFFAOYSA-N
XLogP2.73
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 65400403
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65401013
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136770740
4-bromo-3-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115296591
5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 65330662
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106524981
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 65414293
2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 65402238
5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole
CID 79316096
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899805
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 65414294
(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901665

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (CID 65401824) is 5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is CCC1CCCC(c2noc(-c3cc(N)n[nH]3)n2)C1.
What is the InChIKey of 5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is DUQDNEAIVDZNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-8-4-3-5-9(6-8)12-15-13(19-18-12)10-7-11(14)17-16-10/h7-9H,2-6H2,1H3,(H3,14,16,17).
What are the key properties of 5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 261.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 65401824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).