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

C11H13F2N5O2 — CID 4776064

IUPAC2-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCN(Cc1nonc1C)C(=O)c1ccnn1C(F)F
InChIInChI=1S/C11H13F2N5O2/c1-3-17(6-8-7(2)15-20-16-8)10(19)9-4-5-14-18(9)11(12)13/h4-5,11H,3,6H2,1-2H3
InChIKeySEMSVJXPJCYOJV-UHFFFAOYSA-N
MW285.25 g/mol
LogP1.63
Rot. Bonds5

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

2-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 4776064) has the molecular formula C11H13F2N5O2 and a molecular weight of 285.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID4776064
Molecular FormulaC11H13F2N5O2
Molecular Weight285.25 g/mol
Exact Mass285.10
IUPAC Name2-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCN(Cc1nonc1C)C(=O)c1ccnn1C(F)F
InChIInChI=1S/C11H13F2N5O2/c1-3-17(6-8-7(2)15-20-16-8)10(19)9-4-5-14-18(9)11(12)13/h4-5,11H,3,6H2,1-2H3
InChIKeySEMSVJXPJCYOJV-UHFFFAOYSA-N
XLogP1.63
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-ethyl-4-nitro-5-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 831955
(1-methyl-4-nitro-1H-pyrazol-3-yl)(1H-pyrazol-1-yl)methanone
CID 674662
1-ethyl-4-nitro-3-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 844748
N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 35527826
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 4773800
Pyrazole, 1-methyl-5-(1-pyrazolylcarbonyl)-
CID 573254
1-(difluoromethyl)-N-[(1-ethyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 5253595
1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 17025306
N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide
CID 75444492
N-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 137998122
4-({[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1-methyl-1H-pyrazole-5-carboxamide
CID 4767849
N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-1-(difluoromethyl)-1H-pyrazole-3-carboxamide
CID 4767870

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide (CID 4776064) is 2-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide is CCN(Cc1nonc1C)C(=O)c1ccnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is SEMSVJXPJCYOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O2/c1-3-17(6-8-7(2)15-20-16-8)10(19)9-4-5-14-18(9)11(12)13/h4-5,11H,3,6H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide?
2-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 285.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4776064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).