2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide

C16H15F6N3O3 — CID 19518208

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide
SMILESCCOc1cc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)ccc1OC(F)F
InChIInChI=1S/C16H15F6N3O3/c1-2-27-12-5-8(3-4-11(12)28-16(21)22)23-13(26)7-25-10(15(19)20)6-9(24-25)14(17)18/h3-6,14-16H,2,7H2,1H3,(H,23,26)
InChIKeyVCBRLIHHXADYRV-UHFFFAOYSA-N
MW411.30 g/mol
LogP4.40
Rot. Bonds9

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide (PubChem CID 19518208) has the molecular formula C16H15F6N3O3 and a molecular weight of 411.30 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide
PubChem CID19518208
Molecular FormulaC16H15F6N3O3
Molecular Weight411.30 g/mol
Exact Mass411.10
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide
SMILESCCOc1cc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)ccc1OC(F)F
InChIInChI=1S/C16H15F6N3O3/c1-2-27-12-5-8(3-4-11(12)28-16(21)22)23-13(26)7-25-10(15(19)20)6-9(24-25)14(17)18/h3-6,14-16H,2,7H2,1H3,(H,23,26)
InChIKeyVCBRLIHHXADYRV-UHFFFAOYSA-N
XLogP4.40
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530659
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19522005
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449221
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550051
3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide
CID 19544155
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553602
5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455649
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19263174
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519269
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522617
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide
CID 17021884
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide
CID 19532283

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide (CID 19518208) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide is CCOc1cc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)ccc1OC(F)F.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide?
The InChIKey is VCBRLIHHXADYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F6N3O3/c1-2-27-12-5-8(3-4-11(12)28-16(21)22)23-13(26)7-25-10(15(19)20)6-9(24-25)14(17)18/h3-6,14-16H,2,7H2,1H3,(H,23,26).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide has a molecular weight of 411.30 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide is sourced from PubChem (CID 19518208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).