4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile

C13H15N5O2 — CID 136771082

IUPAC4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
SMILESCCOC1(c2noc(-c3cn[nH]c3C#N)n2)CCCC1
InChIInChI=1S/C13H15N5O2/c1-2-19-13(5-3-4-6-13)12-16-11(20-18-12)9-8-15-17-10(9)7-14/h8H,2-6H2,1H3,(H,15,17)
InChIKeyYZOICOLGQVDPKA-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.14
Rot. Bonds4

About 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile

4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile (PubChem CID 136771082) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
PubChem CID136771082
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
SMILESCCOC1(c2noc(-c3cn[nH]c3C#N)n2)CCCC1
InChIInChI=1S/C13H15N5O2/c1-2-19-13(5-3-4-6-13)12-16-11(20-18-12)9-8-15-17-10(9)7-14/h8H,2-6H2,1H3,(H,15,17)
InChIKeyYZOICOLGQVDPKA-UHFFFAOYSA-N
XLogP2.14
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136771094
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136771039
3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116781646
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795618
5-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116741380
4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 116743337
2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872367
1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116741420
[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 116741445
2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106527661
4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136770964
4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
CID 106527668

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
The IUPAC name of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile (CID 136771082) is 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
The canonical SMILES for 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile is CCOC1(c2noc(-c3cn[nH]c3C#N)n2)CCCC1.
What is the InChIKey of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
The InChIKey is YZOICOLGQVDPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-2-19-13(5-3-4-6-13)12-16-11(20-18-12)9-8-15-17-10(9)7-14/h8H,2-6H2,1H3,(H,15,17).
What are the key properties of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile has a molecular weight of 273.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 136771082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).