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

C12H15F2N5O2 — CID 91795608

IUPAC1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCCc1noc(CN(CC)C(=O)c2ccn(C(F)F)n2)n1
InChIInChI=1S/C12H15F2N5O2/c1-3-9-15-10(21-17-9)7-18(4-2)11(20)8-5-6-19(16-8)12(13)14/h5-6,12H,3-4,7H2,1-2H3
InChIKeyVGEHLUJGRFKRKF-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.89
Rot. Bonds6

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

1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide (PubChem CID 91795608) has the molecular formula C12H15F2N5O2 and a molecular weight of 299.28 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
PubChem CID91795608
Molecular FormulaC12H15F2N5O2
Molecular Weight299.28 g/mol
Exact Mass299.12
IUPAC Name1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCCc1noc(CN(CC)C(=O)c2ccn(C(F)F)n2)n1
InChIInChI=1S/C12H15F2N5O2/c1-3-9-15-10(21-17-9)7-18(4-2)11(20)8-5-6-19(16-8)12(13)14/h5-6,12H,3-4,7H2,1-2H3
InChIKeyVGEHLUJGRFKRKF-UHFFFAOYSA-N
XLogP1.89
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide (CID 91795608) is 1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide is CCc1noc(CN(CC)C(=O)c2ccn(C(F)F)n2)n1.
What is the InChIKey of 1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is VGEHLUJGRFKRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O2/c1-3-9-15-10(21-17-9)7-18(4-2)11(20)8-5-6-19(16-8)12(13)14/h5-6,12H,3-4,7H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 299.28 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91795608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).