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

C17H25N5O2 — CID 50975531

IUPAC5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCc1noc(CN(CC)C(=O)c2cn[nH]c2C2CCCCC2)n1
InChIInChI=1S/C17H25N5O2/c1-3-14-19-15(24-21-14)11-22(4-2)17(23)13-10-18-20-16(13)12-8-6-5-7-9-12/h10,12H,3-9,11H2,1-2H3,(H,18,20)
InChIKeyJIMLDEMCHVQVDW-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.07
Rot. Bonds6

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

5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 50975531) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID50975531
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCc1noc(CN(CC)C(=O)c2cn[nH]c2C2CCCCC2)n1
InChIInChI=1S/C17H25N5O2/c1-3-14-19-15(24-21-14)11-22(4-2)17(23)13-10-18-20-16(13)12-8-6-5-7-9-12/h10,12H,3-9,11H2,1-2H3,(H,18,20)
InChIKeyJIMLDEMCHVQVDW-UHFFFAOYSA-N
XLogP3.07
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide (CID 50975531) is 5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide is CCc1noc(CN(CC)C(=O)c2cn[nH]c2C2CCCCC2)n1.
What is the InChIKey of 5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is JIMLDEMCHVQVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-14-19-15(24-21-14)11-22(4-2)17(23)13-10-18-20-16(13)12-8-6-5-7-9-12/h10,12H,3-9,11H2,1-2H3,(H,18,20).
What are the key properties of 5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?
5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 50975531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).