4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide

C16H19F2N3O3 — CID 19462618

IUPAC4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide
SMILESCCn1ccc(C(C)NC(=O)c2ccc(OC(F)F)c(OC)c2)n1
InChIInChI=1S/C16H19F2N3O3/c1-4-21-8-7-12(20-21)10(2)19-15(22)11-5-6-13(24-16(17)18)14(9-11)23-3/h5-10,16H,4H2,1-3H3,(H,19,22)
InChIKeyFKWYKOJXNFGWNF-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.00
Rot. Bonds7

About 4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide

4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide (PubChem CID 19462618) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide
PubChem CID19462618
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide
SMILESCCn1ccc(C(C)NC(=O)c2ccc(OC(F)F)c(OC)c2)n1
InChIInChI=1S/C16H19F2N3O3/c1-4-21-8-7-12(20-21)10(2)19-15(22)11-5-6-13(24-16(17)18)14(9-11)23-3/h5-10,16H,4H2,1-3H3,(H,19,22)
InChIKeyFKWYKOJXNFGWNF-UHFFFAOYSA-N
XLogP3.00
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 19462670
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 97245131
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9220094
4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide
CID 4864770
4-(difluoromethoxy)-3-methoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286821
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide
CID 18276449
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
CID 19462655
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 19474462

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide (CID 19462618) is 4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide is CCn1ccc(C(C)NC(=O)c2ccc(OC(F)F)c(OC)c2)n1.
What is the InChIKey of 4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide?
The InChIKey is FKWYKOJXNFGWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-4-21-8-7-12(20-21)10(2)19-15(22)11-5-6-13(24-16(17)18)14(9-11)23-3/h5-10,16H,4H2,1-3H3,(H,19,22).
What are the key properties of 4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide has a molecular weight of 339.34 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 19462618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).