3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide

C16H19F2N3O2 — CID 122570706

IUPAC3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1cccc(-c2cnn(C(F)F)c2C)c1
InChIInChI=1S/C16H19F2N3O2/c1-3-20(7-8-22)15(23)13-6-4-5-12(9-13)14-10-19-21(11(14)2)16(17)18/h4-6,9-10,16,22H,3,7-8H2,1-2H3
InChIKeyHWFIUAMUENNYSX-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.71
Rot. Bonds6

About 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide

3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide (PubChem CID 122570706) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide
PubChem CID122570706
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1cccc(-c2cnn(C(F)F)c2C)c1
InChIInChI=1S/C16H19F2N3O2/c1-3-20(7-8-22)15(23)13-6-4-5-12(9-13)14-10-19-21(11(14)2)16(17)18/h4-6,9-10,16,22H,3,7-8H2,1-2H3
InChIKeyHWFIUAMUENNYSX-UHFFFAOYSA-N
XLogP2.71
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide
CID 109468089
3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60653626
1-[3-(1-ethyl-5-methylpyrazol-4-yl)phenyl]ethanone
CID 66096178
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide
CID 157018493
N-[2-(azepan-1-yl)ethyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide
CID 122561281
N-ethyl-N-(2-hydroxyethyl)pyridazine-4-carboxamide
CID 115769350
N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 56859401
1-[2-[3-(diethylcarbamoyl)phenyl]phenyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 69123753
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127
N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide
CID 63395540
N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486259

Frequently Asked Questions

What is the IUPAC name of 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide (CID 122570706) is 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide is CCN(CCO)C(=O)c1cccc(-c2cnn(C(F)F)c2C)c1.
What is the InChIKey of 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is HWFIUAMUENNYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-3-20(7-8-22)15(23)13-6-4-5-12(9-13)14-10-19-21(11(14)2)16(17)18/h4-6,9-10,16,22H,3,7-8H2,1-2H3.
What are the key properties of 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide?
3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 323.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 122570706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).