N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide

C16H23N5O2 — CID 70752025

IUPACN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCCN(Cc1noc(C2CCC2)n1)C(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C16H23N5O2/c1-4-20(16(22)13-8-17-21(9-13)11(2)3)10-14-18-15(23-19-14)12-6-5-7-12/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyZVZLXBYPBICPSE-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.78
Rot. Bonds6

About N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 70752025) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID70752025
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCCN(Cc1noc(C2CCC2)n1)C(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C16H23N5O2/c1-4-20(16(22)13-8-17-21(9-13)11(2)3)10-14-18-15(23-19-14)12-6-5-7-12/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyZVZLXBYPBICPSE-UHFFFAOYSA-N
XLogP2.78
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-[(2S)-2-methylbutyl]urea
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CID 119068258
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
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N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 29023984
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide (CID 70752025) is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide is CCN(Cc1noc(C2CCC2)n1)C(=O)c1cnn(C(C)C)c1.
What is the InChIKey of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is ZVZLXBYPBICPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-20(16(22)13-8-17-21(9-13)11(2)3)10-14-18-15(23-19-14)12-6-5-7-12/h8-9,11-12H,4-7,10H2,1-3H3.
What are the key properties of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide?
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70752025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).