2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide

C19H22N6O2 — CID 53181966

IUPAC2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC1(c2nc(-c3cccnc3)no2)CCCCC1
InChIInChI=1S/C19H22N6O2/c1-2-25-15(8-12-21-25)17(26)23-19(9-4-3-5-10-19)18-22-16(24-27-18)14-7-6-11-20-13-14/h6-8,11-13H,2-5,9-10H2,1H3,(H,23,26)
InChIKeyFAOUNFYFRDNGGU-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.94
Rot. Bonds5

About 2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide

2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide (PubChem CID 53181966) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide
PubChem CID53181966
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC1(c2nc(-c3cccnc3)no2)CCCCC1
InChIInChI=1S/C19H22N6O2/c1-2-25-15(8-12-21-25)17(26)23-19(9-4-3-5-10-19)18-22-16(24-27-18)14-7-6-11-20-13-14/h6-8,11-13H,2-5,9-10H2,1H3,(H,23,26)
InChIKeyFAOUNFYFRDNGGU-UHFFFAOYSA-N
XLogP2.94
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide (CID 53181966) is 2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide is CCn1nccc1C(=O)NC1(c2nc(-c3cccnc3)no2)CCCCC1.
What is the InChIKey of 2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide?
The InChIKey is FAOUNFYFRDNGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-2-25-15(8-12-21-25)17(26)23-19(9-4-3-5-10-19)18-22-16(24-27-18)14-7-6-11-20-13-14/h6-8,11-13H,2-5,9-10H2,1H3,(H,23,26).
What are the key properties of 2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide?
2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide is sourced from PubChem (CID 53181966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).