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

C11H15N5O3 — CID 146108883

IUPAC5-ethyl-N,1-dimethyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2noc(=O)[nH]2)cnn1C
InChIInChI=1S/C11H15N5O3/c1-4-8-7(5-12-16(8)3)10(17)15(2)6-9-13-11(18)19-14-9/h5H,4,6H2,1-3H3,(H,13,14,18)
InChIKeyKFUWMZJZLZODGM-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.07
Rot. Bonds4

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

5-ethyl-N,1-dimethyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 146108883) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-ethyl-N,1-dimethyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N,1-dimethyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID146108883
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name5-ethyl-N,1-dimethyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2noc(=O)[nH]2)cnn1C
InChIInChI=1S/C11H15N5O3/c1-4-8-7(5-12-16(8)3)10(17)15(2)6-9-13-11(18)19-14-9/h5H,4,6H2,1-3H3,(H,13,14,18)
InChIKeyKFUWMZJZLZODGM-UHFFFAOYSA-N
XLogP-0.07
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,1-dimethyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N,1-dimethyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide (CID 146108883) is 5-ethyl-N,1-dimethyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N,1-dimethyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N,1-dimethyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide is CCc1c(C(=O)N(C)Cc2noc(=O)[nH]2)cnn1C.
What is the InChIKey of 5-ethyl-N,1-dimethyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is KFUWMZJZLZODGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-4-8-7(5-12-16(8)3)10(17)15(2)6-9-13-11(18)19-14-9/h5H,4,6H2,1-3H3,(H,13,14,18).
What are the key properties of 5-ethyl-N,1-dimethyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide?
5-ethyl-N,1-dimethyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 265.27 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,1-dimethyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146108883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).