N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide

C14H15F2N3O2 — CID 35525590

IUPACN-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCC(=O)Nc1c(C)nn(COc2ccc(F)cc2F)c1C
InChIInChI=1S/C14H15F2N3O2/c1-8-14(17-10(3)20)9(2)19(18-8)7-21-13-5-4-11(15)6-12(13)16/h4-6H,7H2,1-3H3,(H,17,20)
InChIKeyWXGIGAFNRCTDKF-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.77
Rot. Bonds4

About N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide

N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 35525590) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID35525590
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC NameN-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCC(=O)Nc1c(C)nn(COc2ccc(F)cc2F)c1C
InChIInChI=1S/C14H15F2N3O2/c1-8-14(17-10(3)20)9(2)19(18-8)7-21-13-5-4-11(15)6-12(13)16/h4-6H,7H2,1-3H3,(H,17,20)
InChIKeyWXGIGAFNRCTDKF-UHFFFAOYSA-N
XLogP2.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 35525484
1-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 35592263
3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 35525665
3-(3-bromophenyl)-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495766
3-[(2,4-difluorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346642
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469648
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
CID 19337736
5-[(2,4-difluorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19453092
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide
CID 39853786
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493579
5-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19453233
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
CID 19335561

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide (CID 35525590) is N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide is CC(=O)Nc1c(C)nn(COc2ccc(F)cc2F)c1C.
What is the InChIKey of N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is WXGIGAFNRCTDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-8-14(17-10(3)20)9(2)19(18-8)7-21-13-5-4-11(15)6-12(13)16/h4-6H,7H2,1-3H3,(H,17,20).
What are the key properties of N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 295.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 35525590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).