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

C12H14F3N5O2 — CID 35527826

IUPACN-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCN(Cc1nonc1C)C(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C12H14F3N5O2/c1-4-20(6-8-7(2)17-22-18-8)11(21)9-5-10(12(13,14)15)16-19(9)3/h5H,4,6H2,1-3H3
InChIKeyBVJMOOVFXSUVTP-UHFFFAOYSA-N
MW317.27 g/mol
LogP1.79
Rot. Bonds4

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

N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 35527826) has the molecular formula C12H14F3N5O2 and a molecular weight of 317.27 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID35527826
Molecular FormulaC12H14F3N5O2
Molecular Weight317.27 g/mol
Exact Mass317.11
IUPAC NameN-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCN(Cc1nonc1C)C(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C12H14F3N5O2/c1-4-20(6-8-7(2)17-22-18-8)11(21)9-5-10(12(13,14)15)16-19(9)3/h5H,4,6H2,1-3H3
InChIKeyBVJMOOVFXSUVTP-UHFFFAOYSA-N
XLogP1.79
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-Dimethyl-4-nitropyrazol-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 844737
(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
CID 844741
N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 4771573
N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35527730
1-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 4776064
1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 17025306
1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 19586730
1-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-2-[2-(1-pyrrolidinyl)ethyl]piperidine
CID 72936443
1-Methyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4769943
1-methyl-N-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4771056
N-methoxy-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 121456507
N-Methoxy-N,1-dimethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 139975630

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 35527826) is N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CCN(Cc1nonc1C)C(=O)c1cc(C(F)(F)F)nn1C.
What is the InChIKey of N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is BVJMOOVFXSUVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O2/c1-4-20(6-8-7(2)17-22-18-8)11(21)9-5-10(12(13,14)15)16-19(9)3/h5H,4,6H2,1-3H3.
What are the key properties of N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 35527826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).