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

C12H15F2N5O2 — CID 17025306

IUPAC1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCN(Cc1nonc1C)C(=O)c1cc(C)n(C(F)F)n1
InChIInChI=1S/C12H15F2N5O2/c1-4-18(6-10-8(3)16-21-17-10)11(20)9-5-7(2)19(15-9)12(13)14/h5,12H,4,6H2,1-3H3
InChIKeyUFYDRTNHSLEKPC-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.94
Rot. Bonds5

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

1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 17025306) has the molecular formula C12H15F2N5O2 and a molecular weight of 299.28 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID17025306
Molecular FormulaC12H15F2N5O2
Molecular Weight299.28 g/mol
Exact Mass299.12
IUPAC Name1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCN(Cc1nonc1C)C(=O)c1cc(C)n(C(F)F)n1
InChIInChI=1S/C12H15F2N5O2/c1-4-18(6-10-8(3)16-21-17-10)11(20)9-5-7(2)19(15-9)12(13)14/h5,12H,4,6H2,1-3H3
InChIKeyUFYDRTNHSLEKPC-UHFFFAOYSA-N
XLogP1.94
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.94
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-Dimethylpyrazol-3-yl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2738511
(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,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575300
N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35527730
N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 35527826
5-isopropyl-2-{[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]carbonyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 50963771
1-(difluoromethyl)-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 4776064
1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 19586730
N,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide
CID 44757297
N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide
CID 126783058

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide (CID 17025306) is 1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide is CCN(Cc1nonc1C)C(=O)c1cc(C)n(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is UFYDRTNHSLEKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O2/c1-4-18(6-10-8(3)16-21-17-10)11(20)9-5-7(2)19(15-9)12(13)14/h5,12H,4,6H2,1-3H3.
What are the key properties of 1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 299.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 17025306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).