5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide

C12H14ClF2N5O2 — CID 138000669

IUPAC5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)c(Cl)c1C(=O)NC(C)c1noc(C(F)F)n1
InChIInChI=1S/C12H14ClF2N5O2/c1-4-6-7(8(13)20(3)18-6)11(21)16-5(2)10-17-12(9(14)15)22-19-10/h5,9H,4H2,1-3H3,(H,16,21)
InChIKeyGVPFSWBWBYYZSY-UHFFFAOYSA-N
MW333.73 g/mol
LogP2.45
Rot. Bonds5

About 5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide

5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 138000669) has the molecular formula C12H14ClF2N5O2 and a molecular weight of 333.73 g/mol. Its IUPAC name is 5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID138000669
Molecular FormulaC12H14ClF2N5O2
Molecular Weight333.73 g/mol
Exact Mass333.08
IUPAC Name5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)c(Cl)c1C(=O)NC(C)c1noc(C(F)F)n1
InChIInChI=1S/C12H14ClF2N5O2/c1-4-6-7(8(13)20(3)18-6)11(21)16-5(2)10-17-12(9(14)15)22-19-10/h5,9H,4H2,1-3H3,(H,16,21)
InChIKeyGVPFSWBWBYYZSY-UHFFFAOYSA-N
XLogP2.45
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide (CID 138000669) is 5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)c(Cl)c1C(=O)NC(C)c1noc(C(F)F)n1.
What is the InChIKey of 5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is GVPFSWBWBYYZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N5O2/c1-4-6-7(8(13)20(3)18-6)11(21)16-5(2)10-17-12(9(14)15)22-19-10/h5,9H,4H2,1-3H3,(H,16,21).
What are the key properties of 5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide?
5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 333.73 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 138000669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).